natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD002630 | -3.36 | 195.21 | C7H17O5N | CNCC(O)C(O)C(O)C(O)CO |
|
GD002637 | 4.48 | 600.75 | C34H48O9 | CC=CC=C(C)C(=O)O[C@@H]1[C@H](O)[C@H](OCC23C[C@@H]4[C@H](C)CC[C@H]4C4(C=O)CC2C=C(C(C)C)C34C(=O)O)O[C@H](C)[C@H]1OC |
|
GD002639 | 2.15 | 785.03 | C42H72O13 | CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]3CC[C@]12C |
|
GD002642 | 4.27 | 420.55 | C24H36O6 | C=C1CCCC2C1(C)CCC(C)C2(C)C=CC1(O)C[C@H](OC(C)=O)O[C@H]1OC(C)=O |
|
GD002652 | 1.5 | 542.58 | C29H34O10 | Cc1cc2c(c(C)c1CCO)C(=O)[C@H](C)[C@H]2O[C@@H]1O[C@H](CO)[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@H]1O |
|
GD002653 | 4.3 | 516.68 | C30H44O7 | CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]45O[C@]46CC[C@H](C4=CC(=O)OC4)[C@@]6(C)CC[C@H]35)C2)O[C@H](C)[C@H]1O |
|
GD002656 | 2.31 | 652.87 | C36H60O10 | C[C@H](CC[C@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)[C@@H]3[C@H](O)C[C@@H]4C(C)(C)[C@H](O)CC(=O)[C@]45C[C@@]35CC[C@]12C |
|
GD002657 | 3.24 | 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@@]45C[C@@]4(CC[C@H]5[C@H](C)C[C@H](O)[C@H](O)C(C)(C)O)[C@@]32C)[C@H](O)[C@H](O)[C@H]1O |
|
GD002659 | -2.14 | 754.74 | C35H46O18 | CC(=O)OC(C)(C)C(C)=CC(=O)O[C@@H]1C(=O)O[C@@H]2C[C@@H]3[C@H](C)C(=O)C(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)=C[C@@]3(C)[C@@H]3[C@H](O)[C@H](O)[C@]4(C(=O)O)OC[C@]32[C@H]14 |
|
GD002664 | 0.28 | 756.67 | C36H36O18 | C[C@@H]1O[C@H](OC[C@@H]2O[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@H](O)[C@H]2OC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |