TPCN04447

Name Pleurosaponin H
Molecular Formula C55H92O24
Molecular Weight 1137.32
CAS Registry Number 1447451-89-9
SMILES COC1C=C2C3CC(C)(C)CCC3(CO)C(OC3OC(CO)C(O)C(O)C3O)CC2(C)C2(C)CCC3C(C)(CO)C(OC4OC(C)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4OC4OC(CO)C(O)C(O)C4O)CCC3(C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Pleurospermum kamtschaticum Aerial parts 0.000600% Chem Pharm Bull (Tokyo) 60(8): 1011-1018. 10.1248/cpb.c12-00274
Properties
HBA 24 HBD 15
HeavyAtoms 79 AlogP -2.97
TPSA 386.52 RotatableBonds 14
FractionCSP3 0.96 Rings 9
AromaticRings 0 AliphaticRings 9