General Characteristics
| NatID | 1723 |
| Common Name | NatID_1723 |
| Molecular Formula | C26H40O9 |
| Chemical Class | Prenol lipids > Terpene glycosides |
| Molecular Weight | 496.267 g/mol |
| Other names | 1619942-28-7 |
Representations
| Smiles | C[C@@]1(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H]4C[C@H](O[C@@]4(C)[C@H]1O)[C@@H]23 |
| Inchi | InChI=1S/C26H40O9/c1-23-6-4-7-24(2,22(32)34-20-18(30)17(29)16(28)14(11-27)33-20)15(23)5-8-26-10-12-9-13(19(23)26)35-25(12,3)21(26)31/h12-21,27-31H,4-11H2,1-3H3/t12-,13+,14-,15+,16-,17+,18-,19+,20+,21-,23-,24-,25-,26-/m1/s1 |
| Inchi Key | MYFVPIIOAXHCKP-ZVSQGITDSA-N |
| 3D Structure |
Calculated Properties
| clogP | 0.48 |
| TPSA | 145.91 |
| 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 |
|---|---|---|---|---|
| 10445 | 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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