Glycoside
GD034741
Name:
NoneFormula:
C22H23O8ClSmiles:
COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)OCO3)cc1Aglycone:
COc1ccc(Cc2ccc3c(c2Cl)OCO3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 438.86 | Num_heavy_atoms: | 30 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD22052
Formula: C16H13O3Cl
Smiles:
COc1ccc(Cc2ccc3c(c2Cl)OCO3)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.72 | Num_heavy_atoms: | 19 |
| TPSA: | 27.69 | NumAromaticRings: | 2 |
