Glycoside
GD032976
Name:
NoneFormula:
C17H22O9Smiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)CC(=O)OCc2ccccc2)[C@H]1OAglycone:
O=C(O)CC(=O)OCc1ccccc1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 370.35 | Num_heavy_atoms: | 26 |
| TPSA: | 131.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD14063
Formula: C10H10O4
Smiles:
O=C(O)CC(=O)OCc1ccccc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 63.6 | NumAromaticRings: | 1 |
