General Characteristics
| NatID | 1720 |
| Common Name | NatID_1720 |
| Molecular Formula | C26H38O9 |
| Chemical Class | Prenol lipids > Terpene glycosides |
| Molecular Weight | 494.252 g/mol |
| Other names | 1619942-25-4 |
Representations
| Smiles | C=C1C(=O)O[C@@]23CC[C@@H]4[C@](C)(C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 |
| Inchi | InChI=1S/C26H38O9/c1-13-14-5-6-17-24(2)8-4-9-25(3,16(24)7-10-26(17,11-14)35-21(13)31)23(32)34-22-20(30)19(29)18(28)15(12-27)33-22/h14-20,22,27-30H,1,4-12H2,2-3H3/t14-,15-,16+,17+,18-,19+,20-,22+,24-,25-,26-/m1/s1 |
| Inchi Key | IYRQSYOTMRHUMK-LFKAKRLXSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.20 |
| TPSA | 142.75 |
| HBD | 4 |
| 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 |
|---|---|---|---|---|
| 10442 | 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 |
|---|---|---|---|---|
| Loading... | ||||