TPCN04091
![[object Object]](../../static/browser_molecular_png/TPCN04091.png)
| Name | (3??,17??)-3-[(O-6-Deoxy-??-L-mannopyranosyl-(1??2)-O-[??-D-glucopyranosyl-(1??3)]-??-L-arabinopyranosyl)oxy]-28,29,20-trinorlupa-12,18-dien-21-one |
| Molecular Formula | C44H68O15 |
| Molecular Weight | 837.01 |
| CAS Registry Number | 1239453-14-5 |
| SMILES | CC1=C2C3=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2CC1=O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex kudincha | Leaves | 0.000080% | Magn Reson Chem 50, 325-328 (2012). | 10.1002/mrc.2872 |
Properties
| HBA | 15 | HBD | 8 |
| HeavyAtoms | 59 | AlogP | 1.38 |
| TPSA | 234.29 | RotatableBonds | 7 |
| FractionCSP3 | 0.89 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |