natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD111416 | 3.33 | 587.71 | C32H45O9N | CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1OC(C)=O |
|
GD111417 | 3.33 | 587.71 | C32H45O9N | CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@@H]1OC(C)=O |
|
GD111418 | 3.33 | 587.71 | C32H45O9N | CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@@H]1OC(C)=O |
|
GD111419 | 3.33 | 587.71 | C32H45O9N | CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@H]1OC(C)=O |
|
GD111420 | 3.04 | 554.55 | C29H30O11 | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111421 | 3.25 | 615.72 | C33H45O10N | CC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H]1OC(C)=O |
|
GD111422 | 3.25 | 615.72 | C33H45O10N | CC(=O)O[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1OC(C)=O |
|
GD111423 | 3.25 | 615.72 | C33H45O10N | CC(=O)O[C@H]1[C@@H](C)O[C@@H](O[C@@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H]1OC(C)=O |
|
GD111424 | 3.25 | 615.72 | C33H45O10N | CC(=O)O[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@H]1OC(C)=O |
|
GD111453 | 3.09 | 616.79 | C35H52O9 | C[C@H](CC(=O)[C@@H]1OC1(C)C)[C@@H]1C(=O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O)CC[C@]45C[C@]35[C@@H](O)C[C@]12C |