TPCN04207

Name Clinoposaponin IX
Molecular Formula C36H58O9
Molecular Weight 634.85
CAS Registry Number 159121-99-0
SMILES CC1(C)CCC23COC4(C=CC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Pleurospermum kamtschaticum Aerial parts 0.011500% Chem Pharm Bull (Tokyo) 60(8): 1011-1018. 10.1248/cpb.c12-00274
Properties
HBA 9 HBD 6
HeavyAtoms 45 AlogP 2.93
TPSA 149.07 RotatableBonds 4
FractionCSP3 0.94 Rings 7
AromaticRings 0 AliphaticRings 7