TPCN04524

Name Kaikasaponin III
Molecular Formula C48H78O17
Molecular Weight 927.14
CAS Registry Number 115330-90-0
SMILES CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(O)C7(C)CCC56C)C4(C)C)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Pueraria thomsonii Flowers 0.000357% J Asian Nat Prod Res 15(10): 1065-1072. 10.1080/10286020.2013.802690
Properties
HBA 17 HBD 10
HeavyAtoms 65 AlogP 1.73
TPSA 274.75 RotatableBonds 8
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8