TPCN03729

Name Perennisaponins F
Molecular Formula C71H114O32
Molecular Weight 1479.66
CAS Registry Number 1033766-74-3
SMILES CC(O)CC(=O)OC(C)CC(=O)OC(C)CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(C)C(O)C(O)C6O)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)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Bellis perennis Flowers 0.000950% Chem Pharm Bull (Tokyo), 2008, 56, 559-568. 10.1248/cpb.56.559
Properties
HBA 32 HBD 15
HeavyAtoms 103 AlogP -1.58
TPSA 491.72 RotatableBonds 20
FractionCSP3 0.92 Rings 10
AromaticRings 0 AliphaticRings 10