Glycoside
GD118425
Name:
2-{[4-(3-hydroxybutyl)-5-(hydroxymethyl)-3,3-dimethylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C19H36O8Smiles:
CC(O)CCC1C(CO)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)CAglycone:
CC(O)CCC1C(CO)CC(O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 392.49 | Num_heavy_atoms: | 27 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD47348
Formula: C13H26O3
Smiles:
CC(O)CCC1C(CO)CC(O)CC1(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 230.35 | Num_heavy_atoms: | 16 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
