Glycoside
GD022669
Name:
OPHIOPOGOSIDE BFormula:
C26H28O12Smiles:
COc1c(C)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(C=O)c2c1C(=O)[C@H](Cc1ccc3c(c1)OCO3)CO2Aglycone:
COc1c(C)c(O)c(C=O)c2c1C(=O)C(Cc1ccc3c(c1)OCO3)CO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.5 | Num_heavy_atoms: | 38 |
| TPSA: | 170.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD15343
Formula: C20H18O7
Smiles:
COc1c(C)c(O)c(C=O)c2c1C(=O)C(Cc1ccc3c(c1)OCO3)CO2| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 370.36 | Num_heavy_atoms: | 27 |
| TPSA: | 91.29 | NumAromaticRings: | 2 |
