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