TPCN05235

Name Kudzusaponin C1
Molecular Formula C54H88O23
Molecular Weight 1105.28
CAS Registry Number 168478-70-4
SMILES CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)C(OC8OC(CO)C(O)C(O)C8O)CC7(C)CCC56C)C4(C)CO)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 lobata Roots 0.000009% Chem Pharm Bull (Tokyo) 43, 1176-1179 (1995). 10.1248/cpb.43.1176
Properties
HBA 23 HBD 14
HeavyAtoms 77 AlogP -1.47
TPSA 374.13 RotatableBonds 12
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9