TPCN02258
![[object Object]](../../static/browser_molecular_png/TPCN02258.png)
| Name | Mesaconitine |
| Molecular Formula | C33H45NO10 |
| Molecular Weight | 615.72 |
| CAS Registry Number | 2752-64-9 |
| SMILES | COCC12CCC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C13)C4N(C)C2 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Aconitum carmichaeli | Roots | 0.004280% | Nat Prod Res 31, 228-232 (2017). | 10.1080/14786419.2016.1219863 |
Properties
| HBA | 11 | HBD | 2 |
| HeavyAtoms | 44 | AlogP | 1.29 |
| TPSA | 133.22 | RotatableBonds | 8 |
| FractionCSP3 | 0.76 | Rings | 7 |
| AromaticRings | 1 | AliphaticRings | 6 |