synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD107838 | 1.82 | 541.58 | C24H31O11NS | COCN1c2ccccc2S[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O |
|
GD085263 | 0.38 | 409.39 | C19H23O9N | CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H](C(=O)O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD045249 | -0.76 | 269.25 | C12H15O6N | O=C(O)c1ccccc1N[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O |
|
GD085103 | -0.24 | 415.4 | C18H25O10N | C=C(C)C(=O)N[C@@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108982 | 2.11 | 658.62 | C33H30O11N4 | CCOC(=O)CNc1nn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=O |
|
GD111601 | 3.85 | 607.5 | C31H31O6N2Br | Cc1ccc(C(OC[C@@H]2O[C@H](n3cc(Br)c(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 |
|
GD110675 | 3.06 | 599.6 | C32H29O9N3 | Cc1ccc(C(=O)OC[C@@H]2O[C@H](n3ncc(=O)[nH]c3=O)[C@@H](OC(=O)c3ccc(C)cc3)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 |
|
GD112643 | 4.72 | 673.73 | C38H35O7N5 | COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 |
|
GD107496 | 0.37 | 559.52 | C27H29O12N | COC(=O)[C@@H](NC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)C |
|
GD107840 | 1.87 | 629.62 | C31H35O13N | C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@H](O)[C@@H](O)[C@@H]1O |