natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD008275 | -2.25 | 362.38 | C16H26O9 | C[C@@H]1C(=O)OC[C@@H]2[C@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@]2(C)O |
|
GD008276 | -1.3 | 448.51 | C21H36O10 | C=C(CO)[C@@H]1C[C@H](OC(=O)CC(C)C)[C@@](C)(O)[C@H]1CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD008278 | -2.68 | 676.43 | C20H26O13N10P2 | Nc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1OP(=O)(O)OC[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O |
|
GD008282 | 2.25 | 822.94 | C42H62O16 | CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)[C@@H]4C5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)C(O)C(O)[C@H]6O[C@@H]6O[C@H](C(=O)O)C(O)C(O)C6O)C(C)(C)[C@H]5CCC43C)[C@H]2C1 |
|
GD008302 | -0.62 | 518.6 | C25H42O11 | CC1=CC(=O)CC(C)(C)[C@H]1CC[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O |
|
GD008306 | -1.59 | 406.47 | C19H34O9 | C[C@H](C=C[C@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD008311 | -0.88 | 628.58 | C28H36O16 | COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1[C@H](OC(=O)c1cc(OC)c(O)c(OC)c1)C[C@]2(C)OC(C)=O |
|
GD008312 | 1.14 | 787.81 | C39H49O16N | COC(=O)[C@@H]1c2cc3c(c(O)c2[C@H](O[C@@H]2O[C@H](C)[C@H](OC)[C@@](C)(OC)[C@H]2OC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@H](N(C)C)[C@H]1O |
|
GD008320 | 0.17 | 437.35 | C17H20O7N5P | O=P(O)(O)OC[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@H]1O |
|
GD008321 | 0.05 | 432.38 | C21H20O10 | O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3OC(CO)C(O)C(O)C3O)cc(O)c12 |