Glycoside
GD118591
Name:
OnitinosideFormula:
C21H30O8Smiles:
Cc1c(CCO)c(C)c2c(c1OC1OC(CO)C(O)C(O)C1O)CC(C)(C)C2=OAglycone:
Cc1c(O)c2c(c(C)c1CCO)C(=O)C(C)(C)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 410.46 | Num_heavy_atoms: | 29 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD47438
Formula: C15H20O3
Smiles:
Cc1c(O)c2c(c(C)c1CCO)C(=O)C(C)(C)C2| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 248.32 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
