TPCN04094
![[object Object]](../../static/browser_molecular_png/TPCN04094.png)
| Name | O-6-Deoxy-??-L-mannopyranosyl-(1??4)-O-??-D-glucopyranosyl-(1??6)-??-D-glucopyranosyl (3??)-3-(??-D-allopyranosyloxy)olean-12-en-28-oate |
| Molecular Formula | C53H86O21 |
| Molecular Weight | 1059.25 |
| CAS Registry Number | 1571925-75-1 |
| SMILES | CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex asprella | Roots | 0.000076% | J Asian Nat Prod Res 15, 453-458 (2013). | 10.1080/10286020.2013.783023 |
Properties
| HBA | 21 | HBD | 12 |
| HeavyAtoms | 74 | AlogP | -0.37 |
| TPSA | 333.67 | RotatableBonds | 10 |
| FractionCSP3 | 0.94 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |