Glycoside
GD118819
Name:
Rarasaponin IvFormula:
C52H80O19Smiles:
CC(=O)OC1COC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)CO)C(OC2OC(C)C(O)C(OC3OCC(OC(C)=O)C(OC(C)=O)C3O)C2O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
CC(=O)OC1COC(O)C(OC2OC(C)C(O)C(OC3OCC(OC(C)=O)C(OC(C)=O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 1009.19 | Num_heavy_atoms: | 71 |
| TPSA: | 272.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD00356
Formula: C30H48O4
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
