General Characteristics
| NatID | 1221 |
| Common Name | NatID_1221 |
| Molecular Formula | C16H24O9 |
| Chemical Class | Prenol lipids > Terpene glycosides |
| Molecular Weight | 360.142 g/mol |
| Other names |
Representations
| Smiles | C[C@H]1CC[C@H]2C(C(=O)O)=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12 |
| Inchi | InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9+,10-,11+,12-,13+,15+,16-/m0/s1 |
| Inchi Key | DSXFHNSGLYXPNG-MDIWZKTHSA-N |
| 3D Structure |
Calculated Properties
| clogP | -1.21 |
| TPSA | 145.91 |
| HBD | 5 |
| HBA | 8 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 0 |
| Heavy Atoms | 25 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 9 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9483 | Nepeta cataria | No | Unknown | Garro, H. A., Bruna-Haupt, E., Cianchino, V., Malizia, F., Favier, S., Menacho-Márquez, M., Cifuente, D., Fernández, C. O., & Pungitore, C. R. (2020). Verbascoside, synthetic derivatives and other glycosides from Argentinian native plant species as potential antitumoral agents. Natural Product Research, 35(22), 4703–4708. https://doi.org/10.1080/14786419.2019.1710701 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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