TPCN06162
Name | Thaliside B |
Molecular Formula | C66H108O31 |
Molecular Weight | 1397.56 |
CAS Registry Number | 2097815-51-3 |
SMILES | CC(=O)OCC1OC(OCC(C)=CCC(O)C(C)C2CCC3(C)C4CCC5C(C)(C)C(OC6OC(C)C(OC7OC(COC8OCC(OC9OCC(OC%10OC(CO)C(O)C(O)C%10O)C(O)C9O)C(O)C8O)C(O)C(O)C7O)C(O)C6O)CCC56CC46CCC23C)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Ranunculaceae | Thalictrum fortunei | Whole plants | 0.000446% | Carbohydr Res . 2017 Jun 5;445:1-6 | 10.1016/j.carres.2017.03.019 |
Properties
HBA | 31 | HBD | 17 |
HeavyAtoms | 97 | AlogP | -4.07 |
TPSA | 480.97 | RotatableBonds | 21 |
FractionCSP3 | 0.95 | Rings | 11 |
AromaticRings | 0 | AliphaticRings | 11 |