synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD113141 | 6.0 | 640.71 | C36H32O9S | CCS[C@H]1O[C@H]([C@H](COC(=O)c2ccccc2)OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 |
|
GD113267 | 6.86 | 807.77 | C41H34O11N3PS | O=C(O[C@@H]1[C@H](COP(=O)(Oc2ccccc2)Oc2ccccc2)O[C@H](n2nc(SCc3ccccc3)c(=O)[nH]c2=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD113266 | 6.86 | 807.77 | C41H34O11N3PS | O=C(O[C@@H]1[C@H](COP(=O)(Oc2ccccc2)Oc2ccccc2)O[C@@H](n2nc(SCc3ccccc3)c(=O)[nH]c2=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD113265 | 6.86 | 807.77 | C41H34O11N3PS | O=C(O[C@@H]1[C@@H](n2nc(SCc3ccccc3)c(=O)[nH]c2=O)O[C@@H](COP(=O)(Oc2ccccc2)Oc2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD113268 | 6.86 | 807.77 | C41H34O11N3PS | O=C(O[C@H]1[C@H](OC(=O)c2ccccc2)[C@H](COP(=O)(Oc2ccccc2)Oc2ccccc2)O[C@H]1n1nc(SCc2ccccc2)c(=O)[nH]c1=O)c1ccccc1 |
|
GD113144 | 6.1 | 858.81 | C39H59O11N2I | CC(C)(C)NC(=O)[C@H](c1cccc(I)c1)N(C=O)[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H](COC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C |
|
GD113143 | 6.1 | 858.81 | C39H59O11N2I | CC(C)(C)NC(=O)[C@H](c1cccc(I)c1)N(C=O)[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C |
|
GD109425 | 2.16 | 655.32 | C21H25O9N3SBr2 | CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2cc(Br)c(N)c(Br)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109428 | 2.16 | 655.32 | C21H25O9N3SBr2 | CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2cc(Br)c(N)c(Br)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109427 | 2.16 | 655.32 | C21H25O9N3SBr2 | CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2cc(Br)c(N)c(Br)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |