TPCN04774
![[object Object]](../../static/browser_molecular_png/TPCN04774.png)
| Name | Ilexasprellanoside B |
| Molecular Formula | C37H58O9 |
| Molecular Weight | 646.86 |
| CAS Registry Number | 1610418-28-4 |
| SMILES | CC(=O)OC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5C(C(=O)O)(CCC(C)C5(C)O)CCC34C)C2(C)C)OCC(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex asprella | Roots | 0.000030% | Chem Biodivers 11(5): 767-775. | 10.1002/cbdv.201300155 |
Properties
| HBA | 9 | HBD | 4 |
| HeavyAtoms | 46 | AlogP | 5.24 |
| TPSA | 142.75 | RotatableBonds | 4 |
| FractionCSP3 | 0.89 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |