TPCN04189
Name | Triploside A |
Molecular Formula | C67H108O31 |
Molecular Weight | 1409.57 |
CAS Registry Number | 141544-45-8 |
SMILES | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)OCC(O)C2O)C(O)C(OC2OCC(O)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(OC6OCC(O)C(O)C6O)C(O)C5O)C4O)C(O)C3O)C2O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Caprifoliaceae | Triplostegia grandiflora | Roots | 0.033898% | Phytochemistry 30(10): 3401-3404. | 10.1016/0031-9422(91)83217-9 |
Properties
HBA | 31 | HBD | 16 |
HeavyAtoms | 98 | AlogP | -2.75 |
TPSA | 469.97 | RotatableBonds | 15 |
FractionCSP3 | 0.96 | Rings | 12 |
AromaticRings | 0 | AliphaticRings | 12 |