TPCN01980
![[object Object]](../../static/browser_molecular_png/TPCN01980.png)
| Name | Aggreganoids D |
| Molecular Formula | C31H34O6 |
| Molecular Weight | 502.61 |
| CAS Registry Number | 2369635-54-9 |
| SMILES | C=C1C2CC2C2(C)Cc3oc(Cc4oc5c(c4C)C4OC(=O)C6(CCC=C(C)C5)OC46)c(C)c3C(O)C12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lauraceae | Lindera aggregata | Roots | 0.000029% | Org Lett 21(14): 5753-5756.(2019) | 10.1021/acs.orglett.9b02166 |
Properties
| HBA | 6 | HBD | 1 |
| HeavyAtoms | 37 | AlogP | 5.52 |
| TPSA | 85.34 | RotatableBonds | 2 |
| FractionCSP3 | 0.58 | Rings | 8 |
| AromaticRings | 2 | AliphaticRings | 6 |