Glycoside
GD033569
Name:
NoneFormula:
C18H18O9Cl2Smiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)CC(=O)Oc2ccc(Cl)cc2Cl)[C@H]1OAglycone:
O=C(O)CC(=O)Oc1ccc(Cl)cc1ClSugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 425.22 | Num_heavy_atoms: | 27 |
| TPSA: | 131.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD21413
Formula: C11H6O4Cl2
Smiles:
O=C(O)CC(=O)Oc1ccc(Cl)cc1Cl| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 249.05 | Num_heavy_atoms: | 15 |
| TPSA: | 63.6 | NumAromaticRings: | 1 |
