natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD039837 | -1.51 | 584.66 | C29H44O12 | C[C@H]1O[C@H](O[C@@H]2C[C@@H](O)[C@]3(CO)[C@@H]4[C@H](CC[C@@]3(O)C2)[C@]2(O)CC[C@@H](C3=CC(=O)OC3)[C@@]2(C)C[C@H]4O)[C@H](O)[C@H](O)[C@@H]1O |
|
GD039858 | 0.0 | 451.33 | C17H18O8N5P | Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)OC(=O)c2ccccc2)[C@@H](O)[C@H]1O |
|
GD039862 | -1.01 | 250.29 | C11H22O6 | CCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O |
|
GD039866 | -5.55 | 342.3 | C12H22O11 | O=C(CO)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H](O)[C@@H](O)CO |
|
GD039890 | -1.53 | 366.26 | C13H19O10P | O=P(O)(O)OC[C@H]1O[C@H](Oc2ccccc2CO)[C@@H](O)[C@@H](O)[C@H]1O |
|
GD039893 | -1.45 | 332.21 | C10H13O7N4P | O=P(O)(O)OC[C@H]1O[C@H](n2cnc3cncnc32)[C@@H](O)[C@H]1O |
|
GD039902 | -2.23 | 150.13 | C5H10O5 | C[C@@]1(O)OC[C@H](O)C1(O)O |
|
GD039913 | 0.79 | 1093.14 | C53H72O24 | CO[C@H]1C(O)=C(C(C)=O)C(=O)[C@]2(O[C@@H]3C[C@@H](O[C@@H]4C[C@@H](O[C@@H]5C[C@](C)(O)[C@@H](O)[C@@H](C)O5)[C@@H](O)[C@@H](C)O4)[C@@H](O)[C@@H](C)O3)C(=O)c3c(cc4cc(O[C@@H]5C[C@@H](O[C@@H]6C[C@@H](O)[C@@H](O)[C@@H](C)O6)[C@@H](O)[C@@H](C)O5)c(C)c(O)c4c3O)C[C@H]12 |
|
GD039919 | -1.92 | 507.27 | C10H15O13N5P2S | Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)OS(=O)(=O)O)[C@H](OP(=O)(O)O)[C@@H]1O |
|
GD039923 | -2.23 | 390.07 | C5H13O14P3 | O=P(O)(O)OC[C@H]1O[C@H](O[P@](=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O |