synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD108657 | 1.7 | 595.6 | C25H25O12NS2 | CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD108659 | 1.7 | 595.6 | C25H25O12NS2 | CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108658 | 1.7 | 595.6 | C25H25O12NS2 | CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD042977 | -2.28 | 286.24 | C11H14O7N2 | CC(=O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O |
|
GD109230 | 2.09 | 544.51 | C27H28O12 | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD109229 | 2.09 | 544.51 | C27H28O12 | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD109231 | 2.09 | 544.51 | C27H28O12 | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109232 | 2.09 | 544.51 | C27H28O12 | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109830 | 2.08 | 559.52 | C27H29O12N | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(/C(=N\O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD109831 | 2.08 | 559.52 | C27H29O12N | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(/C(=N\O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |