natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD020046 | -1.32 | 340.28 | C15H16O9 | O=c1ccc2cc(O[C@@H]3OC(CO)C(O)C(O)C3O)c(O)cc2o1 |
|
GD020047 | -3.06 | 1357.43 | C60H92O32S | CO[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)[C@H](O[C@@H]3[C@H](C)O[C@H](O[C@@H]4[C@H](O[C@@H]5CC[C@]6(C)C7=C(C(=O)C[C@H]6C5(C)C)[C@]5(C)CC[C@@H]6[C@](C)(CC(=O)CC(C)C)OC(=O)[C@@]65CC7)OC[C@H](O[C@@H]5O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H]3O)O[C@H](CO)[C@H]2O)O[C@@H](C(=O)O)[C@H]1O |
|
GD020062 | 3.66 | 434.62 | C26H42O5 | C=C[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@@]12C |
|
GD020072 | 5.19 | 632.88 | C37H60O8 | CCOC(C)(C)[C@@H]1O[C@@]23C[C@]4(C)[C@@H]5CC[C@@H]6C(C)(C)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)CC[C@]67C[C@@]57CC[C@@]4(C)[C@H]2[C@H](C)C[C@H]1O3 |
|
GD020073 | 4.47 | 642.83 | C37H54O9 | CC(=O)O[C@@H]1C[C@]23C[C@]24CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]4CC=C3[C@]2(C)C[C@@H]3OC(C(=O)C(C)C)=C[C@H](C)[C@H]3[C@]12C |
|
GD020076 | 4.93 | 478.67 | C28H46O6 | C=C[C@](C)(CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@]12C)O[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]1O |
|
GD020080 | 2.29 | 653.65 | C30H53O10Br | CC(C)(O)[C@@H]1CC[C@](C)([C@H](O)CC[C@](O)(CO)C(=O)[C@H](O)C[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O)O1 |
|
GD020083 | -0.7 | 464.38 | C21H20O12 | O=C1C(=Cc2cc(O)c(O)c(O)c2)Oc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c21 |
|
GD020084 | 0.02 | 492.43 | C23H24O12 | COc1cc(C=Cc2ccc(O[C@@H]3O[C@H](COC(=O)CC(=O)O)[C@H](O)[C@H](O)[C@H]3O)cc2)oc(=O)c1 |
|
GD020086 | -0.72 | 356.37 | C17H24O8 | O=C(O)C[C@H](CCc1ccccc1)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |