TPCN03357
![[object Object]](../../static/browser_molecular_png/TPCN03357.png)
| Name | Aconicarmisulfonine B |
| Molecular Formula | C22H31NO6S |
| Molecular Weight | 437.56 |
| CAS Registry Number | 2640572-10-5 |
| SMILES | CCN1CC2(C)CCC(O)C34C1C(CC23)C12CC(C(=O)CC14)C(S(=O)(=O)O)CC2=O |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Aconitum carmichaelii | Roots | 0.000010% | Acta Pharmaceutica Sinica B, 10(10), 1954-1965 | 10.1016/j.apsb.2020.01.013 |
Properties
| HBA | 7 | HBD | 2 |
| HeavyAtoms | 30 | AlogP | 1.30 |
| TPSA | 111.98 | RotatableBonds | 2 |
| FractionCSP3 | 0.91 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |