TPCN04758
![[object Object]](../../static/browser_molecular_png/TPCN04758.png)
| Name | Ilexasprellanoside A |
| Molecular Formula | C35H54O7 |
| Molecular Weight | 586.81 |
| CAS Registry Number | 1610418-27-3 |
| SMILES | CC1=C2C3=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex asprella | Roots | 0.000045% | Chem Biodivers 11(5): 767-775. | 10.1002/cbdv.201300155 |
Properties
| HBA | 7 | HBD | 4 |
| HeavyAtoms | 42 | AlogP | 5.62 |
| TPSA | 116.45 | RotatableBonds | 3 |
| FractionCSP3 | 0.86 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |