TPCN01447
![[object Object]](../../static/browser_molecular_png/TPCN01447.png)
| Name | Onopornoids B |
| Molecular Formula | C24H33NO8 |
| Molecular Weight | 463.53 |
| CAS Registry Number | 2374699-04-2 |
| SMILES | C=CC1(C)CC(OC(=O)C(=C)CO)C2C(CN3CCCC3C(=O)O)C(=O)OC2C1C(=C)CO |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Onopordum alexandrinum | Aerial parts | 0.000450% | J Nat Prod 82(6): 1471-1477.(2019) | 10.1021/acs.jnatprod.8b00948 |
Properties
| HBA | 9 | HBD | 3 |
| HeavyAtoms | 33 | AlogP | 0.91 |
| TPSA | 133.60 | RotatableBonds | 9 |
| FractionCSP3 | 0.63 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |