synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD052693 | 1.45 | 312.5 | C13H28O4S2 | CCCCSC(SCCCC)[C@H](O)[C@H](O)[C@H](O)CO |
|
GD052694 | 1.45 | 312.5 | C13H28O4S2 | CCCCSC(SCCCC)[C@H](O)[C@@H](O)[C@H](O)CO |
|
GD025566 | 0.0 | 364.37 | C14H20O9S | CC(=O)OC[C@@H]1O[C@H](S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD109630 | 2.25 | 822.94 | C42H62O16 | CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C |
|
GD112522 | 4.49 | 618.85 | C36H58O8 | CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 |
|
GD042462 | -0.53 | 241.24 | C11H15O5N | O[C@@H]1[C@@H](ONc2ccccc2)OC[C@@H](O)[C@H]1O |
|
GD109607 | 2.25 | 822.94 | C42H62O16 | CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C |
|
GD058842 | -0.53 | 333.34 | C16H19O5N3 | O=c1nc(NCc2ccccc2)ccn1[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O |
|
GD058841 | -0.53 | 333.34 | C16H19O5N3 | O=c1nc(NCc2ccccc2)ccn1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O |
|
GD042802 | -1.54 | 297.31 | C13H19O5N3 | O=c1nc(N2CCCC2)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |