synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD106320 | -0.11 | 694.66 | C28H38O18S | CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)S[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD106321 | -0.11 | 694.66 | C28H38O18S | CC(=O)OC[C@H]1S[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110426 | 2.73 | 630.49 | C24H24O10NS2Br | CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111689 | 3.96 | 651.12 | C29H27O10N2ClS2 | CC(=O)OC[C@@H]1O[C@@H](SC2=N/C(=C\c3cccs3)C(=O)N2c2ccc(Cl)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110520 | 2.58 | 664.38 | C25H22O12N5Br | CC(=O)O[C@H]1CO[C@@H](N2C(=O)/C(=N\Nc3ccc([N+](=O)[O-])cc3)c3cc(Br)c([N+](=O)[O-])cc32)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD109896 | 2.67 | 648.41 | C27H25O9N2I | CC(=O)O[C@H]1[C@@H](n2cc(I)c(=O)[nH]c2=O)O[C@@H](COC(=O)c2ccc(C)cc2)[C@H]1OC(=O)c1ccc(C)cc1 |
|
GD109897 | 2.67 | 648.41 | C27H25O9N2I | CC(=O)O[C@@H]1[C@H](OC(=O)c2ccc(C)cc2)[C@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1cc(I)c(=O)[nH]c1=O |
|
GD109898 | 2.67 | 648.41 | C27H25O9N2I | CC(=O)O[C@@H]1[C@H](OC(=O)c2ccc(C)cc2)[C@@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1cc(I)c(=O)[nH]c1=O |
|
GD111289 | 3.14 | 635.63 | C32H33O11N3 | CC(=O)OC[C@H]1O[C@@H](OC(=O)CCCn2c3ccccc3c3nc4ccccc4nc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112175 | 1.72 | 655.73 | C35H39O7N6 | COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(/[NH+]=C/N(C)C)nc43)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 |