natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD040088 | -1.78 | 388.37 | C17H24O10 | C=C[C@@H]1[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@@H]1CC=O |
|
GD040090 | -6.78 | 982.81 | C12H22O35S8 | O=S(=O)(O)OC[C@H]1O[C@@](COS(=O)(=O)O)(O[C@H]2O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O |
|
GD040095 | -2.06 | 381.39 | C15H23O5N7 | Nc1ncnc2c1ncn2[C@H]1O[C@H](C[C@@H](N)CC[C@@H](N)C(=O)O)[C@H](O)[C@@H]1O |
|
GD040103 | -1.23 | 386.35 | C17H22O10 | COc1cc(C=CC(=O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc(OC)c1O |
|
GD040109 | -3.85 | 447.53 | C19H37O7N5 | CN[C@@H]1[C@H](O)[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@@H](O[C@H]3OC(CN)=CC[C@@H]3N)[C@H]2O)OC[C@]1(C)O |
|
GD040129 | 2.33 | 843.07 | C43H74O14N2 | CO[C@H]1[C@@H](O)CC(=O)O[C@H](C)CC=CC=C[C@@H](O[C@@H]2CC[C@@H](N(C)C)[C@@H](C)O2)[C@@H](C)C[C@@H](CC=O)[C@H]1O[C@H]1O[C@H](C)[C@H](O[C@@H]2C[C@](C)(O)[C@@H](O)[C@@H](C)O2)[C@H](N(C)C)[C@@H]1O |
|
GD040130 | 8.12 | 795.13 | C41H78O12S | CCCCCCCCCCCCCCCC(=O)OC[C@H](COC1O[C@H](CS(=O)(=O)O)[C@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC |
|
GD040131 | -1.21 | 180.22 | C6H12O4S | CSC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O |
|
GD040134 | -2.12 | 150.09 | C4H6O6 | O=C(O)[C@H](O)[C@@H](O)C(=O)O |
|
GD040136 | -7.74 | 581.58 | C21H39O12N7 | CN[C@@H]1[C@@H](O[C@@H]2[C@@H](O[C@H]3[C@@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@H]3NC(=N)N)O[C@H](C)[C@]2(O)C=O)O[C@H](CO)[C@H](O)[C@@H]1O |