Glycoside
GD118769
Name:
6-({[4-(3-hydroxybutyl)-5-(hydroxymethyl)-3,3-dimethylcyclohexyl]oxy}methyl)oxane-2,3,4,5-tetrolFormula:
C19H36O8Smiles:
CC(O)CCC1C(CO)CC(OCC2OC(O)C(O)C(O)C2O)CC1(C)CAglycone:
COC1CC(CO)C(CCC(C)O)C(C)(C)C1Sugarmoiety:
OC1OC(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
AD47519
Formula: C14H28O3
Smiles:
COC1CC(CO)C(CCC(C)O)C(C)(C)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 244.37 | Num_heavy_atoms: | 17 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
