synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD113836 | 5.39 | 731.81 | C41H41O8N5 | COCCO[C@H]1[C@@H](O)[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21 |
|
GD111582 | 3.68 | 733.72 | C38H39O14N | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD111584 | 3.68 | 733.72 | C38H39O14N | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD111581 | 3.68 | 733.72 | C38H39O14N | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111583 | 3.68 | 733.72 | C38H39O14N | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD092513 | 0.7 | 446.41 | C22H22O10 | CO[C@@H]1[C@@H](CO)O[C@@H](Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@H](O)[C@H]1O |
|
GD092589 | 1.0 | 430.41 | C22H22O9 | CO[C@@H]1[C@@H](CO)O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@H](O)[C@H]1O |
|
GD059525 | -0.35 | 335.36 | C15H21O4N5 | OC[C@@H]1O[C@H](n2cnc3c(NCC4CCC4)ncnc32)[C@H](O)[C@@H]1O |
|
GD059524 | -0.35 | 335.36 | C15H21O4N5 | OC[C@@H]1O[C@H](n2cnc3c(NCC4CCC4)ncnc32)[C@@H](O)[C@@H]1O |
|
GD053088 | -1.72 | 329.38 | C13H19O5N3S | OC[C@@H]1O[C@H](NNC(=S)Nc2ccccc2)[C@H](O)[C@H](O)[C@@H]1O |