synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD111680 | 3.78 | 633.61 | C33H31O12N | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc5ccccc5n4)c(C)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD111681 | 3.78 | 633.61 | C33H31O12N | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5ccccc5n4)c(C)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD108172 | 1.97 | 642.62 | C33H30O10N4 | O=C(OC[C@H]1O[C@@H](n2nc(N3CCOCC3)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD108170 | 1.97 | 642.62 | C33H30O10N4 | O=C(OC[C@@H]1O[C@@H](n2nc(N3CCOCC3)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD108173 | 1.97 | 642.62 | C33H30O10N4 | O=C(OC[C@H]1O[C@@H](n2nc(N3CCOCC3)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD108171 | 1.97 | 642.62 | C33H30O10N4 | O=C(OC[C@@H]1O[C@@H](n2nc(N3CCOCC3)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD112390 | 4.43 | 679.71 | C36H29O9N3S | O=C(OC[C@@H]1O[C@H](n2nc(SCc3ccccc3)c(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD112391 | 4.43 | 679.71 | C36H29O9N3S | O=C(OC[C@@H]1O[C@@H](n2nc(SCc3ccccc3)c(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD112392 | 4.43 | 679.71 | C36H29O9N3S | O=C(OC[C@@H]1O[C@H](n2nc(SCc3ccccc3)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD112389 | 4.43 | 679.71 | C36H29O9N3S | O=C(OC[C@@H]1O[C@@H](n2nc(SCc3ccccc3)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |