synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD108902 | 2.0 | 535.42 | C22H24O11NF3 | COC(=O)[C@@H]1O[C@@H](O/C(=N/c2ccc(OC)cc2)C(F)(F)F)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108903 | 2.0 | 535.42 | C22H24O11NF3 | COC(=O)[C@@H]1O[C@@H](O/C(=N/c2ccc(OC)cc2)C(F)(F)F)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD104641 | 1.2 | 465.46 | C22H27O10N | COc1ccc(/C=N/[C@H]2[C@H](OC(C)=O)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 |
|
GD108320 | 1.36 | 536.27 | C19H21O10I | COC(=O)[C@@H]1O[C@@H](Oc2ccc(I)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108322 | 1.36 | 536.27 | C19H21O10I | COC(=O)[C@H]1O[C@@H](Oc2ccc(I)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD106997 | 0.05 | 548.57 | C25H28O10N2S | O=C1NC(=O)[C@@H](Cc2ccc(OCCc3ccc(CCO[C@@H]4O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]4O)cn3)cc2)S1 |
|
GD106998 | 0.05 | 548.57 | C25H28O10N2S | O=C1NC(=O)[C@H](Cc2ccc(OCCc3ccc(CCO[C@@H]4O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]4O)cn3)cc2)S1 |
|
GD107674 | 0.97 | 584.62 | C30H36O10N2 | C=CCOC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1NC(C)=O |
|
GD107675 | 0.97 | 584.62 | C30H36O10N2 | C=CCOC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1NC(C)=O |
|
GD109238 | 2.14 | 621.66 | C31H40O11NF | CC(C)c1nc(C(C)C)c(CO[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]2O)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O |