TPCN05238

Name Kudzusaponin SB1
Molecular Formula C53H86O22
Molecular Weight 1075.25
CAS Registry Number 179910-79-3
SMILES CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(OC8OCC(O)C(O)C8O)C7(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 0.000008% Chem Pharm Bull (Tokyo) 45, 362-366 (1997) 10.1248/cpb.45.362
Properties
HBA 22 HBD 13
HeavyAtoms 75 AlogP -0.83
TPSA 353.90 RotatableBonds 11
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9