synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD105623 | -4.24 | 732.45 | C21H33O16N7P3 | NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[PH](O)(O)O[PH](O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](P(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1 |
|
GD105690 | -4.42 | 751.45 | C21H34O18N6P3 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)O[PH](O)(O)OC[C@H]2O[C@H]([n+]3cccc(C(=O)O)c3)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O[PH](O)(O)O |
|
GD107788 | 0.56 | 644.78 | C35H50O10N | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 |
|
GD112277 | 4.03 | 634.85 | C36H58O9 | CC1(C)CC[C@@]2(C(=O)O)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O |
|
GD106949 | 0.97 | 780.94 | C31H36O18NCl3 | CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=N)C(Cl)(Cl)Cl)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110303 | 2.86 | 809.82 | C41H47O16N | CO[C@@H]1C[C@H](O[C@H]2CC[C@H](O[C@@H]3C[C@H](O)c4c(oc5c6c7c(c(O)c5c4=O)-c4c(cc5c(c4O)C(=O)N4CCO[C@]4(C)C5)C[C@H]7OCO6)[C@H]3O)O[C@@H]2C)O[C@H](C)[C@H]1O |
|
GD093692 | -2.07 | 479.5 | C20H35O11N2 | CC(=O)N[C@@H]1[C@H](OCCOCCOCC[NH3+])O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD093691 | -2.07 | 479.5 | C20H35O11N2 | CC(=O)N[C@H]1[C@H](OCCOCCOCC[NH3+])O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD100168 | -0.05 | 474.46 | C21H27O6N3F3 | C[NH2+]C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1C |
|
GD111442 | 3.05 | 582.61 | C30H34O10N2 | C=CCc1cc(C(=O)Nc2c(O)c3ccc(C[C@@H]4OC(C)(C)[C@H](OC)[C@@H](OC(N)=O)[C@H]4O)c(C)c3oc2=O)ccc1O |