TPCN04237

Name Pleurosaponin A
Molecular Formula C36H60O10
Molecular Weight 652.87
CAS Registry Number 1447451-81-1
SMILES CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)CC1OC1OC(CO)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Pleurospermum kamtschaticum Aerial parts 0.004500% Chem Pharm Bull (Tokyo) 60(8): 1011-1018. 10.1248/cpb.c12-00274
Properties
HBA 10 HBD 8
HeavyAtoms 46 AlogP 1.88
TPSA 180.30 RotatableBonds 5
FractionCSP3 0.94 Rings 6
AromaticRings 0 AliphaticRings 6