Glycoside
GD005901
Name:
NoneFormula:
C22H20O8Cl2Smiles:
COC(=O)c1ccc(-c2cc(Cl)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(Cl)c2)cc1Aglycone:
COC(=O)c1ccc(-c2cc(Cl)c(O)c(Cl)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 459.28 | Num_heavy_atoms: | 30 |
| TPSA: | 125.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD04945
Formula: C16H10O3Cl2
Smiles:
COC(=O)c1ccc(-c2cc(Cl)c(O)c(Cl)c2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 297.14 | Num_heavy_atoms: | 19 |
| TPSA: | 46.53 | NumAromaticRings: | 2 |
