Glycoside
GD125288
Name:
Patientoside AFormula:
C20H21O8ClSmiles:
CC(=O)c1c(C)c(Cl)c2cccc(OC3OC(CO)C(O)C(O)C3O)c2c1OAglycone:
CC(=O)c1c(C)c(Cl)c2cccc(O)c2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 412.82 | Num_heavy_atoms: | 28 |
| TPSA: | 136.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD50669
Formula: C14H11O3Cl
Smiles:
CC(=O)c1c(C)c(Cl)c2cccc(O)c2c1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.68 | Num_heavy_atoms: | 17 |
| TPSA: | 57.53 | NumAromaticRings: | 2 |
