Glycoside
GD150471
Name:
Aquoside BFormula:
C31H54O13Smiles:
C=CC(C)(O)CCC1C(C)(OC2OCC(O)C(O)C2O)CCC2C(C)(CO)C(OC3OC(CO)C(O)C(O)C3O)CCC12CAglycone:
C=CC(C)(O)CCC1C(C)(O)CCC2C(C)(CO)C(O)CCC12CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.94 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 10 |
| MolWt: | 634.76 | Num_heavy_atoms: | 44 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD48031
Formula: C20H36O4
Smiles:
C=CC(C)(O)CCC1C(C)(O)CCC2C(C)(CO)C(O)CCC12C| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 340.5 | Num_heavy_atoms: | 24 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
