Glycoside
GD035306
Name:
NoneFormula:
C23H22O8Cl2Smiles:
O=C(Oc1ccc(CCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1cccc(Cl)c1ClAglycone:
O=C(Oc1ccc(CCO)cc1)c1cccc(Cl)c1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 473.31 | Num_heavy_atoms: | 31 |
| TPSA: | 125.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD22351
Formula: C17H12O3Cl2
Smiles:
O=C(Oc1ccc(CCO)cc1)c1cccc(Cl)c1Cl| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 311.16 | Num_heavy_atoms: | 20 |
| TPSA: | 46.53 | NumAromaticRings: | 2 |
