Glycoside
GD001561
Name:
NoneFormula:
C21H21O7ClSmiles:
CC(=O)c1ccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(Cl)c2)cc1Aglycone:
CC(=O)c1ccc(-c2ccc(O)c(Cl)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 408.83 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD01556
Formula: C15H11O2Cl
Smiles:
CC(=O)c1ccc(-c2ccc(O)c(Cl)c2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.69 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 2 |
