Glycoside
GD026815
Name:
OPHIOPOGOSIDE AFormula:
C25H26O12Smiles:
Cc1c(O)c2c(c(C=O)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC[C@H](Cc1ccc3c(c1)OCO3)C2=OAglycone:
Cc1c(O)c(C=O)c2c(c1O)C(=O)C(Cc1ccc3c(c1)OCO3)CO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 518.47 | Num_heavy_atoms: | 37 |
| TPSA: | 181.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD17656
Formula: C19H16O7
Smiles:
Cc1c(O)c(C=O)c2c(c1O)C(=O)C(Cc1ccc3c(c1)OCO3)CO2| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.26 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 356.33 | Num_heavy_atoms: | 26 |
| TPSA: | 102.29 | NumAromaticRings: | 2 |
