TPCN04114
![[object Object]](../../static/browser_molecular_png/TPCN04114.png)
| Name | Ilexpublesnins N |
| Molecular Formula | C53H86O22 |
| Molecular Weight | 1075.25 |
| CAS Registry Number | 1800375-57-8 |
| SMILES | CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7C(C)C(C)(O)CCC7(C(=O)OC7OC(CO)C(O)C(O)C7O)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 pubescens | Roots | 0.000056% | Fitoterapia 97, 98-104 (2014). | 10.1016/j.fitote.2014.05.020 |
Properties
| HBA | 22 | HBD | 13 |
| HeavyAtoms | 75 | AlogP | -1.40 |
| TPSA | 353.90 | RotatableBonds | 10 |
| FractionCSP3 | 0.94 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |