synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD076068 | -2.26 | 401.47 | C15H25O5N6S | C[S@@H](CC[C@H]([NH3+])C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O |
|
GD076066 | -2.26 | 401.47 | C15H25O5N6S | C[S@H](CC[C@H]([NH3+])C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O |
|
GD107620 | 0.89 | 751.69 | C34H41O18N | CC(=O)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H](C#N)c3ccccc3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD107619 | 0.89 | 751.69 | C34H41O18N | CC(=O)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H](C#N)c3ccccc3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD105782 | -1.38 | 736.7 | C29H40O18N2S | CC(=O)OC[C@@H]1O[C@H](NC(=S)N[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110864 | 3.44 | 661.09 | C20H21O10Br3 | CC(=O)OC[C@H]1O[C@@H](Oc2c(Br)cc(Br)cc2Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD106979 | 0.26 | 535.57 | C22H33O12NS | COC(=O)[C@H]1N[C@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)SC1(C)C |
|
GD106809 | 0.43 | 563.58 | C23H33O13NS | CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1SC(C)(C)[C@@H](C(=O)O)N1C(C)=O |
|
GD108055 | 1.54 | 598.63 | C26H34O12N2S | CNC(=O)N1CCS[C@@H]1c1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(OC)c1 |
|
GD108056 | 1.54 | 598.63 | C26H34O12N2S | CNC(=O)N1CCS[C@H]1c1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(OC)c1 |