TPCN04381

Name Pleurosaponin F
Molecular Formula C36H60O9
Molecular Weight 636.87
CAS Registry Number 1447451-87-7
SMILES CC1OC(OC2CCC3(C)C(CCC4(C)C3C(O)C=C3C5CC(C)(C)CCC5(CO)C(O)CC34C)C2(C)CO)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Pleurospermum kamtschaticum Aerial parts 0.001000% Chem Pharm Bull (Tokyo) 60(8): 1011-1018. 10.1248/cpb.c12-00274
Properties
HBA 9 HBD 7
HeavyAtoms 45 AlogP 2.91
TPSA 160.07 RotatableBonds 4
FractionCSP3 0.94 Rings 6
AromaticRings 0 AliphaticRings 6