TPCN06271
![[object Object]](../../static/browser_molecular_png/TPCN06271.png)
| Name | Asprelloside B |
| Molecular Formula | C41H66O19S2 |
| Molecular Weight | 927.09 |
| CAS Registry Number | 2377393-57-0 |
| SMILES | CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(OS(=O)(=O)O)C(OS(=O)(=O)O)C6O)C(C)(C)C5CCC43C)C2C1(C)O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex asprella | Roots | 0.000080% | Chem Biodivers . 2019 Jul;16(7):e1900202 | 10.1002/cbdv.201900202 |
Properties
| HBA | 19 | HBD | 8 |
| HeavyAtoms | 62 | AlogP | 1.58 |
| TPSA | 302.57 | RotatableBonds | 9 |
| FractionCSP3 | 0.93 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |