General Characteristics
| NatID | 1664 |
| Common Name | NatID_1664 |
| Molecular Formula | C23H24O13 |
| Chemical Class | Flavonoids > Flavonoid glycosides |
| Molecular Weight | 508.122 g/mol |
| Other names | 103839-19-6 |
Representations
| Smiles | COc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O |
| Inchi | InChI=1S/C23H24O13/c1-32-12-5-8(3-4-9(12)25)19-22(36-23-18(31)17(30)15(28)13(7-24)34-23)16(29)14-10(26)6-11(27)20(33-2)21(14)35-19/h3-6,13,15,17-18,23-28,30-31H,7H2,1-2H3/t13-,15+,17+,18-,23+/m1/s1 |
| Inchi Key | XZGXHUKLGCOGII-PKNOTBOHSA-N |
| 3D Structure |
Calculated Properties
| clogP | -0.23 |
| TPSA | 208.74 |
| HBD | 7 |
| HBA | 13 |
| Rotatable Bonds | 6 |
| Aromatic Rings | 3 |
| Heavy Atoms | 36 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 1 |
| Number of NO | 13 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10367 | Prosopidastrum globosum | No | Low | Agnese, A. M., Chiale, C. A., Cabrera, J. L., & Juliani, H. R. (1986). Two New Flavonoids from Prosopidastrum globosum. Journal of Natural Products, 49(3), 528–529. https://doi.org/10.1021/np50045a029 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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