natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD120402 | 0.0 | 699.45 | C26H35O17Br | CC(=O)OCC1OC(Br)C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O |
|
GD120403 | 0.68 | 369.37 | C17H23O8N | CC(O)C(O)(C(=O)OCc1ccccc1N=C(O)CCC(=O)O)C(C)O |
|
GD120404 | 9.95 | 826.25 | C48H91O9N | CCCCCCCCCCCCCCCCCCC=CCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCC(C)CC |
|
GD120405 | -1.84 | 917.05 | C45H72O19 | CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C |
|
GD120406 | -6.26 | 1515.65 | C70H114O35 | CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(OC9OCC(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
|
GD120407 | -3.81 | 1395.5 | C65H102O32 | CC(=O)OCC1OC(OC2C(O)C(OC3C(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OC(C(=O)O)C(O)C(O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5O)OCC(O)C3O)OC(C)C2OC2OCC(O)C(OC3OCC(O)(CO)C3O)C2O)C(O)C(O)C1O |
|
GD120408 | -1.57 | 710.59 | C31H34O19 | CC(=O)OCC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(OC(C)=O)C(O)C1O |
|
GD120409 | -0.96 | 450.53 | C21H38O10 | CC(C)=CCCC(C)CCOC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O |
|
GD120410 | -1.33 | 582.51 | C26H30O15 | CC1OC(OC2OC(OC3=C(c4ccc(O)c(O)c4)[OH+]C4=CC(O)=C[C](O)C4=C3)C(O)C(O)C2O)C(O)C(O)C1O |
|
GD120411 | 15.0 | 969.44 | C62H96O8 | CCCCCCCCCCCCCCCC(=O)OCC1OC(OC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C)C(O)C(O)C1O |