Glycoside
GD125140
Name:
2-{[4-hydroxy-4,8a-dimethyl-6-(propan-2-yl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H36O7Smiles:
CC(C)C1=CCC2(C)C(OC3OC(CO)C(O)C(O)C3O)CCC(C)(O)C2C1Aglycone:
CC(C)C1=CCC2(C)C(O)CCC(C)(O)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.51 | Num_heavy_atoms: | 28 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD20604
Formula: C15H26O2
Smiles:
CC(C)C1=CCC2(C)C(O)CCC(C)(O)C2C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
