synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD085843 | 0.66 | 422.35 | C17H18O9N4 | CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](n2nnc3c([N+](=O)[O-])cccc32)[C@@H]1OC(C)=O |
|
GD085842 | 0.66 | 422.35 | C17H18O9N4 | CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1n1nnc2c([N+](=O)[O-])cccc21 |
|
GD107591 | 0.43 | 519.51 | C24H29O10N3 | CCN1C(=O)/C(=N/O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2NC(C)=O)c2ccccc21 |
|
GD108754 | 1.13 | 547.56 | C26H33O10N3 | CCCN1C(=O)/C(=N/O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2NC(C)=O)c2cc(C)ccc21 |
|
GD108753 | 1.52 | 561.59 | C27H35O10N3 | CCCCN1C(=O)/C(=N/O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2NC(C)=O)c2cc(C)ccc21 |
|
GD110805 | 3.25 | 610.64 | C30H30O10N2S | CC(=O)OC[C@@H]1O[C@@H](SC2=N/C(=C\c3ccccc3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110806 | 3.31 | 616.67 | C28H28O10N2S2 | CC(=O)OC[C@@H]1O[C@@H](SC2=N/C(=C\c3cccs3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD104143 | 1.76 | 493.51 | C24H31O10N | C/C=C/c1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2NC(C)=O)c(OC)c1 |
|
GD070551 | 0.34 | 358.4 | C18H22O4N4 | O=C([C@@H](O)CO)[C@@H](O)/C(=C\NNc1ccccc1)NNc1ccccc1 |
|
|
GD070551 | 0.34 | 358.4 | C18H22O4N4 | O=C([C@@H](O)CO)[C@@H](O)/C(=C\NNc1ccccc1)NNc1ccccc1 |