TPCN05130

Name Sophoraflavoside I
Molecular Formula C59H96O27
Molecular Weight 1237.39
CAS Registry Number 100201-60-3
SMILES CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(OC8OCC(O)C(O)C8OC8OC(CO)C(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 Sophora koreensis Roots 0.000308% Chem Pharm Bull (Tokyo) 52, 870-873 (2004) 10.1248/cpb.52.870
Properties
HBA 27 HBD 16
HeavyAtoms 86 AlogP -3.01
TPSA 433.05 RotatableBonds 14
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10