TPCN01707
![[object Object]](../../static/browser_molecular_png/TPCN01707.png)
| Name | Vernomygdalin |
| Molecular Formula | C15H18O5 |
| Molecular Weight | 278.30 |
| CAS Registry Number | 1137599-89-3 |
| SMILES | C=CC12COC(=O)C(=C)C1C1OC(=O)C(C)C1C(O)C2 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Vernonia amygdalina | Leaves | 0.000178% | J Nat Prod 78(7): 1618-1623.(2015) | 10.1021/acs.jnatprod.5b00179 |
Properties
| HBA | 5 | HBD | 1 |
| HeavyAtoms | 20 | AlogP | 0.83 |
| TPSA | 72.83 | RotatableBonds | 1 |
| FractionCSP3 | 0.60 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |