synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD109829 | 2.08 | 559.52 | C27H29O12N | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(/C(=N\O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109833 | 2.08 | 559.52 | C27H29O12N | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(/C(=N\O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108455 | 1.54 | 621.62 | C27H31O12N3S | CCOC(=O)/C(C(=N)S[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)=C1/NN=C(c2ccccc2)O1 |
|
GD109832 | 2.01 | 529.43 | C20H21O6N2S2Br | COc1ccc(-c2c(Br)c(SC)nc(S[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2C#N)cc1 |
|
GD108934 | 1.91 | 577.66 | C22H27O11NS3 | CS/C(=N\S(=O)(=O)c1ccccc1)S[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110012 | 2.74 | 556.53 | C30H24O9N2 | O=C(OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD005377 | -2.17 | 257.25 | C10H15O5N3 | C[C@]1(O)[C@H](O)[C@H](CO)O[C@H]1n1ccc(N)nc1=O |
|
GD104657 | 1.03 | 462.65 | C24H48O7N | CCCCCCCCCCCCC/C=C\[C@H](O)[C@@H]([NH3+])CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD113831 | 5.86 | 568.67 | C35H36O7 | COC(=O)[C@@]1(OCc2ccccc2)OC[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 |
|
GD042484 | -0.15 | 239.27 | C12H17O4N | Cc1ccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)cc1 |