TPCN01995
![[object Object]](../../static/browser_molecular_png/TPCN01995.png)
| Name | Aggreganoids B |
| Molecular Formula | C46H52O6 |
| Molecular Weight | 700.92 |
| CAS Registry Number | 2369637-02-3 |
| SMILES | C=C1C2CC2C2(C)CC3=C(C(O)C12)C(C)(Cc1oc2c(c1C)C(c1oc4c(c1C)C(O)C1C(=C)C5CC5C1(C)C4)C1=C(C)C4CC4C1(C)C2)C(=O)O3 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Celastraceae | Lindera aggregata | Roots | 0.000021% | Org Lett 21(14): 5753-5756.(2019) | 10.1021/acs.orglett.9b02166 |
Properties
| HBA | 6 | HBD | 2 |
| HeavyAtoms | 52 | AlogP | 8.52 |
| TPSA | 93.04 | RotatableBonds | 3 |
| FractionCSP3 | 0.63 | Rings | 12 |
| AromaticRings | 2 | AliphaticRings | 10 |