Glycoside
GD000764
Name:
NoneFormula:
C21H17O6Cl3Smiles:
OC[C@@H]1O[C@H](Oc2ccc(-c3ccc(Cl)cc3Cl)cc2Cl)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(-c2ccc(Cl)cc2Cl)cc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 435.69 | Num_heavy_atoms: | 27 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD00810
Formula: C15H7OCl3
Smiles:
Oc1ccc(-c2ccc(Cl)cc2Cl)cc1Cl| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 5.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 273.55 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
