Glycoside
GD116068
Name:
Supinaionoside AFormula:
C19H30O9Smiles:
CC(=O)CCC1C2(C)CC(OC3OC(CO)C(O)C(O)C3O)CC1(C)C(=O)O2Aglycone:
CC(=O)CCC1C2(C)CC(O)CC1(C)C(=O)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.44 | Num_heavy_atoms: | 28 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD46031
Formula: C13H20O4
Smiles:
CC(=O)CCC1C2(C)CC(O)CC1(C)C(=O)O2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 240.3 | Num_heavy_atoms: | 17 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
