natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD110530 | 2.83 | 586.73 | C32H46O8N2 | CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(/C=N/CC#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]1O |
|
GD110531 | 2.83 | 586.73 | C32H46O8N2 | CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(/C=N/CC#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]1O |
|
GD110532 | 2.76 | 545.67 | C30H43O8N | 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]1O |
|
GD110533 | 2.76 | 545.67 | C30H43O8N | 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]1O |
|
GD110534 | 2.76 | 545.67 | C30H43O8N | 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]1O |
|
GD110535 | 2.76 | 545.67 | C30H43O8N | 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]1O |
|
GD110557 | 2.55 | 650.8 | C32H58O13 | CCCCCCC[C@H](CC(=O)O)OC(=O)C[C@@H](CCCCCCC)O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O |
|
GD110558 | 2.55 | 650.8 | C32H58O13 | CCCCCCC[C@@H](CC(=O)O)OC(=O)C[C@H](CCCCCCC)O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O |
|
GD110559 | 2.55 | 650.8 | C32H58O13 | CCCCCCC[C@@H](CC(=O)O[C@H](CCCCCCC)CC(=O)O)O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O |
|
GD110560 | 2.55 | 650.8 | C32H58O13 | CCCCCCC[C@@H](CC(=O)O)OC(=O)C[C@@H](CCCCCCC)O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O |