natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD001417 | 2.5 | 1021.2 | C50H84O21 | CC=C(C)C(=O)O[C@@H]1[C@H](C)O[C@H](O[C@@H]2[C@H](C)O[C@@H]3O[C@@H]4[C@H](O[C@H](CO)[C@H](O)[C@H]4O)O[C@H]4[C@@H](O[C@@H](C)[C@@H](O)[C@H]4O)O[C@H](CCCCC)CCCCCCCCCC(=O)O[C@H]2[C@H]3OC(=O)[C@H](C)CC)[C@H](O)[C@H]1O |
|
GD001424 | 1.1 | 882.82 | C43H46O20 | COc1cc(C=CC(=O)OC[C@@H]2O[C@@](CO)(O[C@@H]3O[C@H](CO)[C@H](OC(=O)C=Cc4ccc(O)cc4)[C@H](O)[C@H]3OC(C)=O)[C@H](OC(=O)C=Cc3ccc(O)c(OC)c3)[C@H]2O)ccc1O |
|
GD001426 | 4.3 | 752.98 | C41H68O12 | COC(C)(C)[C@H](O)[C@@H]1C[C@H](C)[C@@]2(CC[C@]3(C)[C@H]2CC[C@@H]2[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]4C[C@H](O[C@@H]4O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]4O)[C@]23C)O1 |
|
GD001428 | 3.65 | 738.96 | C40H66O12 | CC(=O)OC[C@@H]1O[C@H](O[C@@H]2C[C@@H]3C(C)(C)[C@H](OC(C)=O)CC[C@@]3(C)[C@@H]3CC[C@@H]4[C@@]5(CC[C@@]4(C)[C@@]32C)O[C@H]([C@H](O)C(C)(C)O)C[C@H]5C)[C@H](O)[C@H](O)[C@H]1O |
|
GD001444 | -3.22 | 180.16 | C6H12O6 | OC[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O |
|
GD001449 | -0.21 | 562.52 | C27H30O13 | COc1cc([C@@H]2c3cc4c(c(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c3C[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1O |
|
GD001450 | 0.26 | 580.58 | C28H36O13 | COc1cc2c(c(OC)c1O)[C@@H]1c3c(cc(OC)c(O)c3OC)OC[C@H](C2)[C@H]1CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD001452 | -0.2 | 436.41 | C21H24O10 | O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD001453 | -1.59 | 281.27 | C11H15O4N5 | C[C@]1(O)[C@H](O)[C@H](CO)O[C@H]1n1cnc2c(N)ncnc21 |
|
GD001458 | 5.85 | 576.86 | C35H60O6 | CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@@]12C)C(C)C |