synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD114097 | 6.45 | 738.73 | C38H30O12N2S | O=C(OC[C@H]1O[C@@H](OC(=O)N(c2ccccc2)c2ccccc2)[C@@H](OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD114098 | 6.45 | 738.73 | C38H30O12N2S | O=C(OC[C@@H]1O[C@@H](OC(=O)N(c2ccccc2)c2ccccc2)[C@@H](OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD114095 | 6.45 | 738.73 | C38H30O12N2S | O=C(OC[C@H]1O[C@@H](OC(=O)N(c2ccccc2)c2ccccc2)[C@@H](OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD114096 | 6.45 | 738.73 | C38H30O12N2S | O=C(OC[C@@H]1O[C@@H](OC(=O)N(c2ccccc2)c2ccccc2)[C@@H](OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD107276 | 0.9 | 661.7 | C30H47O15N | CC(=O)N[C@H]1[C@@H](OC[C@@H](OC(C)=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]2OCCC(C)C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD107279 | 0.9 | 661.7 | C30H47O15N | CC(=O)N[C@H]1[C@@H](OC[C@@H](OC(C)=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]2OCCC(C)C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD107278 | 0.9 | 661.7 | C30H47O15N | CC(=O)N[C@H]1[C@@H](OC[C@@H](OC(C)=O)[C@H]2O[C@H]3OC(C)(C)O[C@H]3[C@H]2OCCC(C)C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD107277 | 0.9 | 661.7 | C30H47O15N | CC(=O)N[C@H]1[C@@H](OC[C@@H](OC(C)=O)[C@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2OCCC(C)C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110089 | 2.81 | 646.58 | C33H27O11N2F | CC(=O)O[C@H]1[C@H](n2cc(F)c(=O)[nH]c2=O)OC(COC(=O)c2ccccc2)(COC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 |
|
GD110254 | 2.56 | 647.61 | C29H29O14NS | CCOC(=O)c1oc2cc(O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1 |