TPCN01988
![[object Object]](../../static/browser_molecular_png/TPCN01988.png)
| Name | Triptregeline B |
| Molecular Formula | C34H39NO12 |
| Molecular Weight | 653.68 |
| CAS Registry Number | 2197992-84-8 |
| SMILES | CC(=O)OCC12C(OC(=O)c3cccnc3)CCC(C)(O)C13OC(C)(C)C(C(OC(C)=O)C2OC(=O)c1ccccc1)C3OC(C)=O |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Celastraceae | Tripterygium regelii | Stems | 0.000025% | Fitoterapia 112: 1-8.(2016) | 10.1016/j.fitote.2016.04.016 |
Properties
| HBA | 13 | HBD | 1 |
| HeavyAtoms | 47 | AlogP | 2.97 |
| TPSA | 173.85 | RotatableBonds | 8 |
| FractionCSP3 | 0.53 | Rings | 5 |
| AromaticRings | 2 | AliphaticRings | 3 |