TPCN04576
![[object Object]](../../static/browser_molecular_png/TPCN04576.png)
| Name | Ilexsaponin E |
| Molecular Formula | C41H62O14 |
| Molecular Weight | 778.93 |
| CAS Registry Number | 1469715-56-7 |
| SMILES | CC1=C2C3=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C(=O)O)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex pubescens | Roots | 0.000240% | J Asian Nat Prod Res 14(12): 1169-1174. | 10.1080/10286020.2012.738674 |
Properties
| HBA | 14 | HBD | 8 |
| HeavyAtoms | 55 | AlogP | 2.51 |
| TPSA | 232.90 | RotatableBonds | 7 |
| FractionCSP3 | 0.85 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |