General Characteristics
| NatID | 1719 |
| Common Name | NatID_1719 |
| Molecular Formula | C26H40O9 |
| Chemical Class | Prenol lipids > Terpene glycosides |
| Molecular Weight | 496.267 g/mol |
| Other names | 1619942-24-3 |
Representations
| Smiles | C[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1C[C@H]3O |
| Inchi | InChI=1S/C26H40O9/c1-12-13-5-6-15-24(2)7-4-8-25(3,16(24)9-17(28)26(15,10-13)21(12)32)23(33)35-22-20(31)19(30)18(29)14(11-27)34-22/h12-20,22,27-31H,4-11H2,1-3H3/t12-,13-,14-,15+,16+,17-,18-,19+,20-,22+,24+,25-,26-/m1/s1 |
| Inchi Key | BXFHCJJLEVZIOO-DPUDCOTPSA-N |
| 3D Structure |
Calculated Properties
| clogP | 0.53 |
| TPSA | 153.75 |
| HBD | 5 |
| HBA | 9 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 0 |
| Heavy Atoms | 35 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 9 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10441 | Hyalis argentea var. latisquama | No | Low | Fernández, L. R., Butassi, E., Svetaz, L., Zacchino, S. A., Palermo, J. A., & Sánchez, M. (2014). Antifungal Terpenoids from Hyalis argentea var. latisquama. Journal of Natural Products, 77(7), 1579–1585. https://doi.org/10.1021/np500032u |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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