Glycoside
GD004961
Name:
NoneFormula:
C21H21O8ClSmiles:
COC(=O)c1ccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(Cl)c2)cc1Aglycone:
COC(=O)c1ccc(-c2ccc(O)c(Cl)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 424.83 | Num_heavy_atoms: | 29 |
| TPSA: | 125.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD04264
Formula: C15H11O3Cl
Smiles:
COC(=O)c1ccc(-c2ccc(O)c(Cl)c2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.69 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 2 |
