Características Generales
| NatID | 1769 |
| Nombre Común | NatID_1769 |
| Fórmula Molecular | C33H40O19 |
| Tipo Químico | Flavonoids > Flavonoid glycosides |
| Peso Molecular | 740.216 g/mol |
| Otros nombres | 123618-28-0 |
Representaciones
| Smiles | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |
| Inchi | InChI=1S/C33H40O19/c1-10-19(37)22(40)25(43)32(47-10)51-28-11(2)48-31(27(45)24(28)42)46-9-17-20(38)23(41)26(44)33(50-17)52-30-21(39)18-15(36)7-14(35)8-16(18)49-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-20,22-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,22+,23-,24-,25+,26+,27+,28-,31+,32-,33-/m0/s1 |
| Inchi Key | YZCAVCYYHPLAIN-SYCGLRSASA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | -2.54 |
| TPSA | 308.12 |
| HBD | 11 |
| HBA | 19 |
| Enlaces Rotables | 8 |
| Anillos aromáticos | 3 |
| Átomos pesados | 52 |
| Carbociclos Aromáticos | 2 |
| Heterociclos Aromáticos | 1 |
| Número de NO | 19 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 10494 | Vigna luteola | No | Low | Pomilio, A. B., & Zallocchi, E. M. (1989). Two New Kaempferol Isorhamninosides from Vigna luteola. Journal of Natural Products, 52(3), 511–515. https://doi.org/10.1021/np50063a008 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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