TPCN05286
![[object Object]](../../static/browser_molecular_png/TPCN05286.png)
| Name | Matesaponin 4 |
| Molecular Formula | C53H86O22 |
| Molecular Weight | 1075.25 |
| CAS Registry Number | 164178-28-3 |
| SMILES | CC1CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex paraguariensis | Leaves | 0.010000% | J Nat Prod. 1995. 58, 438-441. | 10.1021/np50117a015. |
Properties
| HBA | 22 | HBD | 13 |
| HeavyAtoms | 75 | AlogP | -1.54 |
| TPSA | 353.90 | RotatableBonds | 11 |
| FractionCSP3 | 0.94 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |