Glycoside
GD151185
Name:
Solasodoside CFormula:
C39H60O16Smiles:
CC(=O)C1=CCC2C3CC=C4CC(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(=O)C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.87 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 784.89 | Num_heavy_atoms: | 55 |
| TPSA: | 254.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD06271
Formula: C21H30O2
Smiles:
CC(=O)C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 314.47 | Num_heavy_atoms: | 23 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
