TPCN03835

Name Notoginsenosides D
Molecular Formula C64H108O31
Molecular Weight 1373.54
CAS Registry Number 193895-50-0
SMILES CC(C)=CCCC(C)(OC1OC(COC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Panax notoginseng Roots 0.000517% Chem Pharm Bull (Tokyo), 1997, 45, 1039-1045. 10.1248/cpb.45.1039
Properties
HBA 31 HBD 19
HeavyAtoms 95 AlogP -5.28
TPSA 495.13 RotatableBonds 20
FractionCSP3 0.97 Rings 10
AromaticRings 0 AliphaticRings 10