TPCN04145

Name Chikusetsusaponin FK1
Molecular Formula C48H82O18
Molecular Weight 947.17
CAS Registry Number 1407488-47-4
SMILES CC(C)=CCCC(C)(O)C1CCC2(C)C1C(OC1OC(CO)C(O)C(O)C1O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)CC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Panax japonicus Fruits 0.000034% Chem Pharm Bull (Tokyo), 2012, 60, 354-362. 10.1248/cpb.60.354
Properties
HBA 18 HBD 12
HeavyAtoms 66 AlogP -0.03
TPSA 298.14 RotatableBonds 12
FractionCSP3 0.96 Rings 7
AromaticRings 0 AliphaticRings 7