TPCN06290
![[object Object]](../../static/browser_molecular_png/TPCN06290.png)
| Name | Asprelloside J |
| Molecular Formula | C36H56O13S |
| Molecular Weight | 728.90 |
| CAS Registry Number | 2377393-70-7 |
| SMILES | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OS(=O)(=O)O)C6O)C(C)(C)C5CCC43C)C2C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex asprella | Roots | 0.000060% | Chem Biodivers . 2019 Jul;16(7):e1900202 | 10.1002/cbdv.201900202 |
Properties
| HBA | 13 | HBD | 6 |
| HeavyAtoms | 50 | AlogP | 3.95 |
| TPSA | 217.35 | RotatableBonds | 6 |
| FractionCSP3 | 0.89 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |