TPCN04471

Name Pleurosaponin D
Molecular Formula C44H72O16
Molecular Weight 857.04
CAS Registry Number 1447451-85-5
SMILES CC(=O)OCC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)C(OC4OC(CO)C(O)C(O)C4OC4OC(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 16 HBD 10
HeavyAtoms 60 AlogP 0.27
TPSA 265.52 RotatableBonds 9
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7