Glycoside
GD136792
Name:
2-[(3-hydroxy-6-{[6-hydroxy-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C39H66O32Smiles:
CC1OC(OC2C(O)OC(CO)C(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OCC(O)C(O)C3O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OAglycone:
[empty]Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OCC(O)C(O)C3O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 32 | RingCount: | 7 |
| HBD: | 19 | FractionCSP3: | 1.0 |
| AlogP: | -13.33 | Num_rotatable_bonds: | 15 |
| MolWt: | 1046.93 | Num_heavy_atoms: | 71 |
| TPSA: | 504.36 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD08098
CC1OC(OC2C(O)OC(CO)C(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OCC(O)C(O)C3O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O