Glycoside
GD131611
Name:
Priverosaponin B 22-AcetateFormula:
C56H90O25Smiles:
CC(=O)OC1CC(C)(C)CC2C13COC21CCC2C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC2(C)C1(C)CC3OAglycone:
CC(=O)OC1CC(C)(C)CC2C13COC21CCC2C4(C)CCC(O)C(C)(C)C4CCC2(C)C1(C)CC3OSugarmoiety:
CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 10 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 12 |
| MolWt: | 1163.31 | Num_heavy_atoms: | 81 |
| TPSA: | 389.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD16978
Formula: C32H52O5
Smiles:
CC(=O)OC1CC(C)(C)CC2C13COC21CCC2C4(C)CCC(O)C(C)(C)C4CCC2(C)C1(C)CC3O| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 516.76 | Num_heavy_atoms: | 37 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
Sugarmoiety
SD01794
CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O