Glycoside
GD147069
Name:
NoneFormula:
C48H74O20Smiles:
C=C(C)C1C2CC3(C)C4=CCC5C(C)(C)C(OC6OCC(O)C(O)C6OC6OC(C)C(OC7OC(CO)C(O)C(OC8OCC(O)C(OC)C8O)C7O)C(O)C6O)CCC5(C)C4CCC13C(=O)O2Aglycone:
C=C(C)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2Sugarmoiety:
COC1C(O)COC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 971.1 | Num_heavy_atoms: | 68 |
| TPSA: | 291.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD04322
Formula: C25H36O3
Smiles:
C=C(C)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 5.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 384.56 | Num_heavy_atoms: | 28 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
