synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD108537 | 1.89 | 619.53 | C28H29O15N | CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c(C(=O)Cc3ccc([N+](=O)[O-])cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD113888 | 6.23 | 565.63 | C33H31O6N3 | O=[N+]([O-])c1cccc2c1ncn2[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 |
|
GD112658 | 4.6 | 514.64 | C31H30O5S | O[C@H]1[C@H](O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H](Sc2ccccc2)[C@H]1O |
|
GD045912 | -0.95 | 269.3 | C13H19O5N | Cc1ccc(NCC(=O)[C@@H](O)[C@@H](O)[C@H](O)CO)cc1 |
|
GD045922 | -0.95 | 269.3 | C13H19O5N | Cc1ccc(NCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1 |
|
GD077257 | -0.39 | 386.36 | C20H18O8 | O=C[C@@H](O)[C@H](O)[C@@H](O)COc1cc(CO)cc2c1C(=O)c1ccccc1C2=O |
|
GD093536 | -6.81 | 481.64 | C21H47O7N5 | CC[NH2+][C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](C[NH3+])CC[C@H]2[NH3+])[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H]([NH2+]C)[C@H]1O |
|
GD108756 | 0.72 | 550.96 | C26H23O5N8Cl | Nc1ncnc2c1[nH]/c(=N\N=C1/C(=O)c3ccccc3N1Cc1ccc(Cl)cc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
|
GD108759 | 0.83 | 595.41 | C25H23O5N8Br | Nc1ncnc2c1[nH]/c(=N\N=C1/C(=O)c3cc(Br)ccc3N1Cc1ccccc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
|
GD107597 | 0.04 | 547.37 | C21H23O5N8Br | CCCN1/C(=N/N=c2\[nH]c3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)c2cc(Br)ccc21 |