synthetic glycosides
Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
---|---|---|---|---|---|
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GD085448 | 0.76 | 408.63 | C15H15O6NClBr | OC[C@H]1O[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@@H](O)[C@@H](O)[C@H]1O |
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GD077492 | 0.78 | 385.21 | C16H17O6Br | OC[C@@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O |
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GD112672 | 4.69 | 537.62 | C31H31O4N5 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 |
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GD086238 | 4.09 | 420.51 | C26H28O5 | O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 |
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GD085517 | 0.34 | 416.38 | C21H20O9 | O=c1c(-c2ccc(O)cc2)coc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc12 |
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GD045461 | -0.68 | 269.3 | C13H19O5N | Cc1ccc(NC(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc1C |
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GD092941 | 1.49 | 437.45 | C21H27O9N | CC(=O)OC[C@@H]1O[C@H](Nc2cccc(C)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
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GD062894 | -1.03 | 354.36 | C16H22O7N2 | CC(=O)Nc1ccccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O |
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GD076833 | -0.97 | 381.38 | C18H23O8N | CC(=O)N[C@H]1[C@H](OC2=C[C@H]3OC(=O)CC(C)=C3C=C2)O[C@@H](CO)[C@@H](O)[C@H]1O |
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GD040690 | -3.22 | 180.16 | C6H12O6 | OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O |