TPCN04470

Name Pleurosaponin B
Molecular Formula C38H62O11
Molecular Weight 694.90
CAS Registry Number 1447451-83-3
SMILES CC(=O)OCC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)C(OC4OC(CO)C(O)C(O)C4O)CC3(CO)C(O)CC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Pleurospermum kamtschaticum Aerial parts 0.000500% Chem Pharm Bull (Tokyo) 60(8): 1011-1018. 10.1248/cpb.c12-00274
Properties
HBA 11 HBD 7
HeavyAtoms 49 AlogP 2.45
TPSA 186.37 RotatableBonds 6
FractionCSP3 0.92 Rings 6
AromaticRings 0 AliphaticRings 6