TPCN03796

Name Chikusetsusaponin FK4
Molecular Formula C58H98O26
Molecular Weight 1211.40
CAS Registry Number 1407488-52-1
SMILES CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Panax japonicus Fruits 0.000648% Chem Pharm Bull (Tokyo), 2012, 60, 354-362. 10.1248/cpb.60.354
Properties
HBA 26 HBD 16
HeavyAtoms 84 AlogP -3.10
TPSA 415.98 RotatableBonds 18
FractionCSP3 0.97 Rings 9
AromaticRings 0 AliphaticRings 9