natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD002168 | -0.03 | 552.57 | C27H36O12 | COC(=O)C1=C[C@H](O)C[C@@H]2[C@]3(C)C[C@H](c4ccoc4)OC(=O)[C@H]3C[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@]12C |
|
GD002170 | 2.34 | 1041.28 | C51H92O21 | CCCCCCCCC[C@H](CCCCCCCC(C)=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H](OCCCC)[C@H](OC(=O)CCC)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O |
|
GD002174 | 3.32 | 532.67 | C30H44O8 | CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C=O)[C@H](CC[C@@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@H](C)[C@H]1O |
|
GD002185 | 2.13 | 526.49 | C27H26O11 | COc1cc2c(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 |
|
GD002196 | -1.72 | 638.62 | C30H38O15 | COc1ccc(C[C@]2(O)COc3cc(OC)cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)c3C2=O)cc1 |
|
GD002207 | 0.96 | 411.5 | C21H33O7N | CC=C(C)C(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)OC)C(C)(C)O)C12 |
|
GD002208 | 8.55 | 755.09 | C43H78O10 | CCCCCC=CCC=CCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC |
|
GD002210 | 2.75 | 577.8 | C33H55O7N | C[C@H]1CC[C@@H]([C@H](C)C2[C@H](O)C[C@@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@]23C)NC1 |
|
GD002211 | -0.75 | 408.36 | C19H20O10 | O=C(c1ccc(O)cc1)c1c(O)cc(O)c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1O |
|
GD002217 | 0.66 | 460.56 | C23H40O9 | CC(=O)OC(CC(=O)C(C)CCC=C(C)C)C(C)=CCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO |