natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD108192 | 1.74 | 565.55 | C25H27O12NS | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108193 | 1.74 | 565.55 | C25H27O12NS | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD108194 | 1.74 | 565.55 | C25H27O12NS | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108195 | 1.74 | 565.55 | C25H27O12NS | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD108208 | 1.6 | 534.56 | C27H34O11 | C/C(=C/COc1c2ccoc2cc2oc(=O)ccc12)CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O |
|
GD108209 | 1.6 | 534.56 | C27H34O11 | C/C(=C/COc1c2ccoc2cc2oc(=O)ccc12)CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O |
|
GD108213 | 1.75 | 510.49 | C24H30O12 | CCC(=O)c1ccc(O[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(OC)c1 |
|
GD108214 | 1.75 | 510.49 | C24H30O12 | CCC(=O)c1ccc(O[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(OC)c1 |
|
GD108218 | 1.74 | 565.55 | C25H27O12NS | CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108222 | 1.85 | 668.82 | C35H56O12 | CO[C@@H]1C[C@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]45O[C@@]46CC[C@H](C(C)=O)[C@@]6(C)[C@H](O)[C@@H](O)[C@H]35)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1O |