Glycoside
GD147668
Name:
ParrisaponinFormula:
C51H82O20Smiles:
CC1CCC2(OC1)OC1CC3C(C)(CCC4C5(C)CCC(OC6OC(CO)C(OC7OCC(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CC5=CCC43C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C(C)(CCC4C5(C)CCC(O)CC5=CCC43C)C1C2CSugarmoiety:
CC1OC(OC2COC(OC3C(CO)OC(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 10 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 1015.2 | Num_heavy_atoms: | 71 |
| TPSA: | 294.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD45962
Formula: C28H44O3
Smiles:
CC1CCC2(OC1)OC1CC3C(C)(CCC4C5(C)CCC(O)CC5=CCC43C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 6.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 428.66 | Num_heavy_atoms: | 31 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
