natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD110483 | 2.92 | 618.72 | C33H46O11 | CC(=O)O[C@H]1C[C@@H](O[C@H]2CC[C@]3(C=O)[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 |
|
GD110484 | 2.69 | 563.69 | C30H45O9N | CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/O)[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 |
|
GD110485 | 2.93 | 560.68 | C31H44O9 | CO[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@@H]2CC[C@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](c5ccc(=O)oc5)CC[C@@]43O)C2)[C@@H]1O |
|
GD110486 | 2.93 | 560.68 | C31H44O9 | CO[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@@H]2CC[C@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](c5ccc(=O)oc5)CC[C@]43O)C2)[C@@H]1O |
|
GD110487 | 2.93 | 560.68 | C31H44O9 | CO[C@H]1[C@H](O)[C@@H](O[C@@H]2CC[C@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](c5ccc(=O)oc5)CC[C@@]43O)C2)O[C@@H](C)[C@H]1O |
|
GD110488 | 2.69 | 563.69 | C30H45O9N | CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/O)[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 |
|
GD110489 | 2.69 | 563.69 | C30H45O9N | CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/O)[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 |
|
GD110490 | 2.69 | 563.69 | C30H45O9N | CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/O)[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 |
|
GD110491 | 2.93 | 560.68 | C31H44O9 | CO[C@H]1[C@H](O)[C@@H](O[C@@H]2CC[C@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](c5ccc(=O)oc5)CC[C@]43O)C2)O[C@@H](C)[C@H]1O |
|
GD110494 | 2.61 | 680.83 | C36H56O12 | C=CC(C)(C)OC[C@@H]1O[C@H](O[C@@H]2C3=C([C@H](C)COC(C)=O)C[C@H](O)[C@@]3(C)/C=C3/[C@@H](COC)CC[C@H]3[C@H](C)[C@@H]2O)[C@@H](O)[C@H](OC(C)=O)[C@H]1O |