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 |