Glycoside
GD134918
Name:
1-[4-methyl-7-(propan-2-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-1H-inden-1-yl]ethan-1-oneFormula:
C21H36O7Smiles:
CC(=O)C1CCC2C1C(C(C)C)CCC2(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)C1CCC2C1C(C(C)C)CCC2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 400.51 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD46112
Formula: C15H26O2
Smiles:
CC(=O)C1CCC2C1C(C(C)C)CCC2(C)O| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
