TPCN03861
![[object Object]](../../static/browser_molecular_png/TPCN03861.png)
| Name | Ilexpublesnins E;Ilexpublesnin E |
| Molecular Formula | C53H86O22 |
| Molecular Weight | 1075.25 |
| CAS Registry Number | 1465768-09-5 |
| SMILES | CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7C(C(=O)OC8OC(CO)C(O)C(O)C8O)(CCC(C)C7(C)O)CCC56C)C4(C)C)OCC(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex rotunda | Barks | 0.000833% | Fitoterapia. 2015. 101, 19-26. | 10.1016/j.fitote.2014.11.007 |
| Aquifoliaceae | Ilex pubescens | Roots | 0.000444% | Planta Med 79, 70-77 (2013). | 10.1055/s-0032-1327927 |
Properties
| HBA | 22 | HBD | 13 |
| HeavyAtoms | 75 | AlogP | -1.40 |
| TPSA | 353.90 | RotatableBonds | 10 |
| FractionCSP3 | 0.94 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |