Glycoside
GD001211
Name:
ANDROSINFormula:
C15H20O8Smiles:
COc1cc(C(C)=O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C(C)=O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 328.32 | Num_heavy_atoms: | 23 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD01258
Formula: C9H10O3
Smiles:
COc1cc(C(C)=O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
