natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD118162 | 0.58 | 556.65 | C28H44O11 | CC(=O)OC1CC(C)C(O)(CCC2=CCOC2=O)C2(C)CCC(OC3OC(CO)C(O)C(O)C3O)C(C)(C)C12 |
|
GD118163 | -0.71 | 481.5 | C17H23O11NS2 | O=C(OCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O)c1ccccc1 |
|
GD118164 | 3.02 | 810.93 | C41H62O16 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC(OCC(=O)O)C(O)C(=O)O)C6O)C(C)(CO)C5CCC43C)C2C1 |
|
GD118165 | -1.9 | 974.96 | C44H62O24 | COc1cc(CC(COC2OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C2O)C(COC2OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C2O)Cc2ccc(O)c(OC)c2)ccc1O |
|
GD118166 | 2.37 | 525.68 | C28H47O8N | CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)C(O)C(N(C)C)C2O)C(C)CC(C)C(=O)C=CC1C |
|
GD118167 | -4.14 | 1265.4 | C60H96O28 | CC(=O)OC1C(O)C(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7CC(CO)C(O)C(O)C7O)C(CO)(CO)C6CCC5(C)C3(C)CC4O)OCC(O)C2O)OC(C)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O |
|
GD118168 | 1.43 | 715.66 | C34H37O16N | COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(O)=NC(C)C(=O)O)c(O)c3)c(OC3OC(CO)C(O)C(O)C3O)c2)c(O)c1 |
|
GD118169 | 0.26 | 836.94 | C39H60O14N6 | CCCC(=O)OC1CC2CC(C(O)=NCCCCNC(=N)N)N(C(=O)C(CC(C)C)N=C(O)C(O)Cc3ccc(O)cc3)C2CC1OC1OC(C(=O)O)C(O)C(O)C1O |
|
GD118170 | -5.07 | 902.81 | C39H50O24 | CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
|
GD118171 | -0.97 | 1229.37 | C60H92O26 | COC1C(O)COC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7CCC89C(=O)OC(C)(C=CC=C(C)C)C8C(OC(C)=O)CC9(C)C7=CCC6C5(C)C)OCC(O)C4O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C1O |