synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD106221 | -1.33 | 722.69 | C34H42O17 | CC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@@H]23)[C@H](OC(=O)/C=C/c2ccccc2)[C@@H]1OC(C)=O |
|
GD106223 | -1.32 | 752.72 | C35H44O18 | COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)OC=C[C@@H]34)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 |
|
GD106224 | -1.33 | 722.69 | C34H42O17 | CC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@@H]23)O[C@@H](C)[C@H](OC(=O)/C=C/c2ccccc2)[C@H]1OC(C)=O |
|
GD111716 | 3.84 | 711.63 | C33H33O15N3 | CCOC(=O)c1ccc(NC(=O)O[C@H]2[C@H](OC(=O)Nc3ccc4c(c3)OCO4)[C@@H](OC(=O)Nc3ccc4c(c3)OCO4)[C@@H](OC)O[C@@H]2CO)cc1 |
|
GD062398 | -1.14 | 370.31 | C15H18O9N2 | CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD077412 | -1.11 | 398.48 | C20H32O7N | C/C=C(\C)C(=O)O[C@@H]1CC[N@H+]2CC=C(COC(=O)[C@@](O)([C@@H](C)O)C(C)(C)O)[C@H]12 |
|
GD077411 | -1.11 | 398.48 | C20H32O7N | C/C=C(\C)C(=O)O[C@H]1CC[N@H+]2CC=C(COC(=O)[C@@](O)([C@@H](C)O)C(C)(C)O)[C@H]12 |
|
GD047230 | -1.25 | 319.68 | C11H11O4N5FCl | Nc1nc(Cl)nc2c1ncn2[C@]1(O)O[C@H](CO)[C@H](O)[C@H]1F |
|
GD047227 | -1.25 | 319.68 | C11H11O4N5FCl | Nc1nc(Cl)nc2c1ncn2[C@]1(O)O[C@H](CO)[C@H](O)[C@@H]1F |
|
GD043476 | -1.52 | 271.27 | C11H17O5N3 | CCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O |