Glycoside
GD012503
Name:
NoneFormula:
C22H21O9ClSmiles:
O=C(CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1O)c1cccc(Cl)c1Aglycone:
O=C(CC(=O)c1ccc(O)cc1O)c1cccc(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 452.84 | Num_heavy_atoms: | 31 |
| TPSA: | 153.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD09417
Formula: C16H11O4Cl
Smiles:
O=C(CC(=O)c1ccc(O)cc1O)c1cccc(Cl)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.7 | Num_heavy_atoms: | 20 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
