TPCN05012
![[object Object]](../../static/browser_molecular_png/TPCN05012.png)
| Name | Compound 2 |
| Molecular Formula | C87H137NO42 |
| Molecular Weight | 1869.02 |
| CAS Registry Number | 913846-42-1 |
| SMILES | C=CC(C)(O)CCC=C(C)C(=O)OC1COC(OC2C(COC(C)=O)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(COC8OCC(O)C(OC9OCC(O)C(O)C9O)C8O)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7NC(C)=O)C(C)(C)C6CCC5(C)C3(C)CC4O)C(OC3OCC(O)C(OC4OCC(O)(CO)C4O)C3O)C2O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Fabaceae | Entada africana | Roots | 0.001444% | J Nat Prod 69, 1323-1329 (2006) | 10.1021/np060257w |
Properties
| HBA | 43 | HBD | 21 |
| HeavyAtoms | 130 | AlogP | -5.64 |
| TPSA | 651.05 | RotatableBonds | 28 |
| FractionCSP3 | 0.89 | Rings | 13 |
| AromaticRings | 0 | AliphaticRings | 13 |