Glycoside
GD146074
Name:
1-[7a-methyl-5-(propan-2-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-1H-inden-4-yl]-2-hydroxyethan-1-oneFormula:
C21H36O8Smiles:
CC(C)C1CCC2(C)C(OC3OC(CO)C(O)C(O)C3O)CCC2C1C(=O)COAglycone:
CC(C)C1CCC2(C)C(O)CCC2C1C(=O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.51 | Num_heavy_atoms: | 29 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD58596
Formula: C15H26O3
Smiles:
CC(C)C1CCC2(C)C(O)CCC2C1C(=O)CO| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 254.37 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
