TPCN04508

Name Pleurosaponin G
Molecular Formula C54H90O24
Molecular Weight 1123.29
CAS Registry Number 1447451-88-8
SMILES CC1OC(OC2CCC3(C)C(CCC4(C)C3C(O)C=C3C5CC(C)(C)CCC5(CO)C(OC5OC(CO)C(O)C(O)C5O)CC34C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Pleurospermum kamtschaticum Aerial parts 0.000400% Chem Pharm Bull (Tokyo) 60(8): 1011-1018. 10.1248/cpb.c12-00274
Properties
HBA 24 HBD 16
HeavyAtoms 78 AlogP -3.62
TPSA 397.52 RotatableBonds 13
FractionCSP3 0.96 Rings 9
AromaticRings 0 AliphaticRings 9