439177
  -OEChem-02210611192D

 87 90  0     1  0  0  0  0  0999 V2000
    6.0010    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671    0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5991    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690    4.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4651    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5369    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8671   -3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3312    2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1972    1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3312   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3312    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5991   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316    1.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346    1.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5210   -0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225   -1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1191    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7206    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  1 46  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  2 47  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  1  0  0  0
  4 48  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 49  1  0  0  0  0
  6 50  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 51  1  6  0  0  0
  8 10  1  0  0  0  0
  8 14  1  6  0  0  0
  8 52  1  0  0  0  0
  9 53  1  0  0  0  0
 10 15  1  6  0  0  0
 10 54  1  0  0  0  0
 16 11  1  1  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  1  0  0  0
 13 55  1  0  0  0  0
 14 56  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 57  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  6  0  0  0
 17 58  1  0  0  0  0
 18 23  1  0  0  0  0
 18 25  1  6  0  0  0
 18 59  1  0  0  0  0
 19 60  1  0  0  0  0
 20 26  1  0  0  0  0
 20 27  1  0  0  0  0
 20 61  1  1  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
 22 30  1  1  0  0  0
 22 62  1  0  0  0  0
 23 31  1  1  0  0  0
 23 63  1  0  0  0  0
 24 32  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 25 66  1  0  0  0  0
 26 33  1  0  0  0  0
 26 34  1  1  0  0  0
 26 67  1  0  0  0  0
 27 35  1  0  0  0  0
 27 36  1  1  0  0  0
 27 68  1  0  0  0  0
 28 37  1  0  0  0  0
 28 38  1  6  0  0  0
 28 69  1  0  0  0  0
 29 37  1  0  0  0  0
 29 39  1  6  0  0  0
 29 70  1  0  0  0  0
 30 71  1  0  0  0  0
 31 72  1  0  0  0  0
 32 73  1  0  0  0  0
 33 40  1  0  0  0  0
 34 41  1  0  0  0  0
 34 74  1  0  0  0  0
 34 75  1  0  0  0  0
 35 40  1  0  0  0  0
 35 42  1  6  0  0  0
 35 76  1  0  0  0  0
 36 77  1  0  0  0  0
 37 43  1  1  0  0  0
 37 78  1  0  0  0  0
 38 44  1  0  0  0  0
 38 79  1  0  0  0  0
 38 80  1  0  0  0  0
 39 81  1  0  0  0  0
 40 45  1  6  0  0  0
 40 82  1  0  0  0  0
 41 83  1  0  0  0  0
 42 84  1  0  0  0  0
 43 85  1  0  0  0  0
 44 86  1  0  0  0  0
 45 87  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
439177

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
21

> <PUBCHEM_CACTVS_HBOND_DONOR>
14

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQA+ePAAAAAAAAAAAAAAAAAAAAAASCQAAAAAIJEAAAAAGgAAAAAIAACwFAgACAADgAAGAAAAAAAAAAAAAAAAAAAAAAAAEBEAAAAAAAIFAEAiAAcAAAxgwAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_CAS_NAME>
(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_NAME>
(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-[(2R,3R,4S,5R,6S)-4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol

> <PUBCHEM_NIST_INCHI>
InChI=1/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1

> <PUBCHEM_CACTVS_XLOGP>
-10.139

> <PUBCHEM_OPENEYE_MF>
C24H42O21

> <PUBCHEM_OPENEYE_MW>
666.578

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)O)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
347.83

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
45

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
20

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_SUBSTANCE_ID>
3482

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00182

> <PUBCHEM_SUBSTANCE_SYNONYM>
9005-79-2
C00182
Glycogen

> <PUBCHEM_GENERIC_REGISTRY_NAME>
9005-79-2

> <PUBCHEM_XREF_EXT_ID>
C00182

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/kegg2.html

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00182

> <PUBCHEM_CID_ASSOCIATIONS>
439177  1

> <PUBCHEM_BONDANNOTATIONS>
1  3  6
10  15  6
16  11  5
13  19  5
17  24  6
18  25  6
2  6  5
20  61  5
22  30  5
23  31  5
26  34  5
27  36  5
28  38  6
29  39  6
35  42  6
37  43  5
4  9  5
40  45  6
7  51  6
8  14  6

$$$$