synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD112939 | 4.12 | 743.75 | C40H35O9N6 | C[N+](C)=CNc1c(C#N)nnn1C[C@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 |
|
GD112355 | 4.11 | 763.71 | C40H33O13N3 | COC(=O)c1nnn(C[C@H]2O[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c1C(=O)OC |
|
GD112156 | 3.59 | 662.74 | C31H34O12S2 | CC(=O)O[C@H]1[C@H](OCc2ccccc2)O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H]1OC(C)=O |
|
GD106676 | -0.9 | 545.61 | C18H27O12NS3 | CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](COS(C)(=O)=O)[C@@H](OS(C)(=O)=O)[C@@H]1OS(C)(=O)=O |
|
GD108027 | 1.79 | 513.5 | C26H27O10N | CC(=O)OC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@H](NC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD106677 | -0.9 | 545.61 | C18H27O12NS3 | CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](COS(C)(=O)=O)[C@@H](OS(C)(=O)=O)[C@H]1OS(C)(=O)=O |
|
GD112105 | 3.7 | 760.54 | C28H24O18N8 | CC(=O)O[C@@H]1[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])O[C@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1OC(C)=O |
|
GD113172 | 5.11 | 595.69 | C36H37O7N | CO[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC)[C@H]1NC(=O)c1ccccc1 |
|
GD107602 | 0.58 | 529.59 | C22H27O10NS2 | CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](O)[C@@H](OS(C)(=O)=O)[C@H]1NC(=O)c1ccccc1 |
|
GD112536 | 4.42 | 582.72 | C36H40O6N | C[N+](C)(C)[C@H]1[C@@H](OC(=O)c2ccccc2)O[C@H](COCC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@@H]1O |