Glycoside
GD117952
Name:
NoneFormula:
C60H98O28Smiles:
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4C(OC5CCC6(C)C7=CC(O)C89C(=O)OC(C)(CCCC(C)C)C8CCC9(C)C7CCC6C5(C)C)OCC(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)C3O)C2O)C1OAglycone:
CC(C)CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4C(O)OCC(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 10 |
| HBD: | 15 | FractionCSP3: | 0.95 |
| AlogP: | -3.54 | Num_rotatable_bonds: | 19 |
| MolWt: | 1267.42 | Num_heavy_atoms: | 88 |
| TPSA: | 431.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD02728
Formula: C30H48O4
Smiles:
CC(C)CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
Sugarmoiety
SD05159
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4C(O)OCC(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)C3O)C2O)C1O