TPCN01811
![[object Object]](../../static/browser_molecular_png/TPCN01811.png)
| Name | Aggreganoids A |
| Molecular Formula | C46H52O7 |
| Molecular Weight | 716.92 |
| CAS Registry Number | 2375675-49-1 |
| SMILES | C=C1C2CC2C2(C)CC3(C(c4oc5c(c4C)C(O)C4C(=C)C6CC6C4(C)C5)c4oc5c(c4C)C(O)C4C(=C)C6CC6C4(C)C5)OC(=O)C(C)=C3C(O)C12 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Lindera aggregata | Roots | 0.000100% | Org Lett 21(14): 5753-5756.(2019) | 10.1021/acs.orglett.9b02166 |
Properties
| HBA | 7 | HBD | 3 |
| HeavyAtoms | 53 | AlogP | 7.66 |
| TPSA | 113.27 | RotatableBonds | 3 |
| FractionCSP3 | 0.63 | Rings | 12 |
| AromaticRings | 2 | AliphaticRings | 10 |