Glycoside
GD010815
Name:
NoneFormula:
C21H22O9Smiles:
O=C(CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1O)c1ccccc1Aglycone:
O=C(CC(=O)c1ccc(O)cc1O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 153.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD08303
Formula: C15H12O4
Smiles:
O=C(CC(=O)c1ccc(O)cc1O)c1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
