TPCN05173
![[object Object]](../../static/browser_molecular_png/TPCN05173.png)
| Name | Ingasaponin |
| Molecular Formula | C135H211NO61 |
| Molecular Weight | 2824.12 |
| CAS Registry Number | 1851319-95-3 |
| SMILES | C=CC(C)(CCC=C(C)C(=O)OC1C(C)OC(OC(C)(C=C)CCC=C(C)C(=O)OC2C(C)OC(OC(C)(C=C)CCC=C(C)C(=O)OC3C(C)OC(OC(C)(C=C)CCC=C(CO)C(=O)OC4CC5(C(=O)OC6OC(CO)C(O)C(O)C6OC6OC(C)C(OC7OC(CO)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)CC6(C)C(=CCC7C8(C)CCC(OC9OC(COC%10OCC(O)C(O)C%10OC%10OCC(O)C(O)C%10O)C(O)C(O)C9NC(C)=O)C(C)(C)C8CCC76C)C5CC4(C)C)C(O)C3O)C(O)C2O)C(O)C1O)OC1OC(C)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Fabaceae | Inga laurina | Seeds | 0.142000% | Carbohydr Res 420, 23-31 (2016) | 10.1016/j.carres.2015.11.008 |
Properties
| HBA | 62 | HBD | 30 |
| HeavyAtoms | 197 | AlogP | -4.30 |
| TPSA | 941.10 | RotatableBonds | 52 |
| FractionCSP3 | 0.82 | Rings | 16 |
| AromaticRings | 0 | AliphaticRings | 16 |