TPCN02052
![[object Object]](../../static/browser_molecular_png/TPCN02052.png)
| Name | Triptregeline I |
| Molecular Formula | C33H35NO9 |
| Molecular Weight | 589.64 |
| CAS Registry Number | 2197992-92-8 |
| SMILES | CC1(C)OC23C(OC(=O)c4cccnc4)C1CC(OC(=O)c1ccccc1)C2(C)C(OC(=O)c1ccoc1)CCC3(C)O |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Celastraceae | Tripterygium regelii | Stems | 0.000009% | Fitoterapia 112: 1-8.(2016) | 10.1016/j.fitote.2016.04.016 |
Properties
| HBA | 10 | HBD | 1 |
| HeavyAtoms | 43 | AlogP | 4.77 |
| TPSA | 134.39 | RotatableBonds | 6 |
| FractionCSP3 | 0.45 | Rings | 6 |
| AromaticRings | 3 | AliphaticRings | 3 |