TPCN03923

Name Perennisaponins A
Molecular Formula C57H90O24
Molecular Weight 1159.32
CAS Registry Number 1033766-69-6
SMILES CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C2OC(C)=O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Bellis perennis Flowers 0.000303% Chem Pharm Bull (Tokyo), 2008, 56, 559-568. 10.1248/cpb.56.559
Properties
HBA 24 HBD 11
HeavyAtoms 81 AlogP -0.26
TPSA 366.04 RotatableBonds 11
FractionCSP3 0.91 Rings 9
AromaticRings 0 AliphaticRings 9