synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD112109 | 3.68 | 656.73 | C33H44O10N4 | CCCC(=O)OC[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@@H](Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21)OC(=O)CCC |
|
GD112100 | 3.68 | 656.73 | C33H44O10N4 | CCCC(=O)OC[C@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@@H](Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21)OC(=O)CCC |
|
GD043043 | -2.82 | 258.23 | C9H14O5N4 | NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1N |
|
GD042944 | -2.82 | 258.23 | C9H14O5N4 | NC(=O)c1ncn([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1N |
|
GD078958 | 1.77 | 376.24 | C17H19O4N3Cl2 | CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |
|
GD112554 | 2.88 | 670.57 | C35H35O7N4Cl2 | CC[NH+](CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4n([C@@H]4O[C@@H](CO)[C@@H](OC)[C@@H](O)[C@@H]4O)c3c3[nH]c4c(Cl)cccc4c23)C1=O |
|
GD112553 | 2.88 | 670.57 | C35H35O7N4Cl2 | CC[NH+](CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4n([C@H]4O[C@@H](CO)[C@@H](OC)[C@@H](O)[C@@H]4O)c3c3[nH]c4c(Cl)cccc4c23)C1=O |
|
GD071266 | -2.43 | 390.36 | C15H18O5N8 | CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@@H]4O)c3n2)c1 |
|
GD092515 | 0.3 | 446.41 | C22H22O10 | COc1cc2occ(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)cc3)c(O)c-2c(=O)c1 |
|
GD092516 | 0.3 | 446.41 | C22H22O10 | COc1cc2occ(-c3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)cc3)c(O)c-2c(=O)c1 |