TPCN03679
Name | Perennisaponins B |
Molecular Formula | C71H112O31 |
Molecular Weight | 1461.65 |
CAS Registry Number | 1033766-70-9 |
SMILES | CC(=O)OC1C(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(O)C(C)(CO)C6CCC5(C)C3(C)CC4O)OC(C)C(OC(=O)CC(C)OC(=O)CC(C)OC(=O)CC(C)OC(=O)CC(C)O)C2O)OC(C)C(OC2OCC(O)C(OC3OC(C)C(O)C(O)C3O)C2O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Asteraceae | Bellis perennis | Flowers | 0.001220% | Chem Pharm Bull (Tokyo), 2008, 56, 559-568. | 10.1248/cpb.56.559 |
Properties
HBA | 31 | HBD | 12 |
HeavyAtoms | 102 | AlogP | 0.46 |
TPSA | 465.17 | RotatableBonds | 22 |
FractionCSP3 | 0.89 | Rings | 9 |
AromaticRings | 0 | AliphaticRings | 9 |