synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD113598 | 5.43 | 818.43 | C37H26O10N2Br2 | O=C(OC[C@@H]1O[C@H](n2ccc(=O)n(C(=O)c3ccc(Br)cc3)c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccc(Br)cc1 |
|
GD108224 | 1.21 | 562.4 | C20H24O9N3SBr | CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2ccc(Br)cn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109305 | 2.16 | 655.32 | C21H25O9N3SBr2 | CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2cc(Br)c(N)c(Br)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD107122 | 0.23 | 579.63 | C26H33O10N3S | CC(=O)OC[C@@H]1O[C@@H](NC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD113603 | 9.2 | 890.35 | C44H23O8N5Cl6 | O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccc(Cl)cc2Cl)[C@@H](OC(=O)c2ccc(Cl)cc2Cl)[C@@H]1OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 |
|
GD110431 | -0.32 | 656.77 | C35H48O10N2 | C[C@@H]1CCC[N@H+](Cc2c(O)c(C[N@@H+]3CCC[C@@H](C)C3)c(O)c3c(=O)c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)coc23)C1 |
|
GD110432 | -0.32 | 656.77 | C35H48O10N2 | C[C@H]1CCC[N@@H+](Cc2c(O)c(C[N@H+]3CCC[C@@H](C)C3)c3occ(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)c(=O)c3c2O)C1 |
|
GD110710 | 2.76 | 570.6 | C31H30O7N4 | COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(=O)[nH]cnc43)[C@@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 |
|
GD099148 | -0.76 | 462.5 | C18H22O10S2 | O=S(=O)(OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)COS(=O)(=O)c1ccccc1)c1ccccc1 |
|
GD099146 | -0.76 | 462.5 | C18H22O10S2 | O=S(=O)(OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)COS(=O)(=O)c1ccccc1)c1ccccc1 |