synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD114140 | 5.97 | 752.82 | C42H44O11N2 | CCCCCCCCOC(=O)/C=C/c1c(C)[nH]c(=O)n([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c1=O |
|
GD114139 | 5.97 | 752.82 | C42H44O11N2 | CCCCCCCCOC(=O)/C=C/c1c(C)[nH]c(=O)n([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c1=O |
|
GD110464 | 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 |
|
GD110465 | 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 |
|
GD110466 | 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 |
|
GD110463 | 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 |
|
GD112383 | 4.17 | 675.9 | C38H61O9N | CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)[C@H](O)C[C@]34C)C2(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O |
|
GD112089 | 3.98 | 612.64 | C34H32O9N2 | Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](OC(=O)c3ccc(C)cc3)[C@H]2OC(=O)c2ccc(C)cc2)cc1 |
|
GD107818 | 1.65 | 656.64 | C32H36O13N2 | CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD113221 | 6.1 | 700.7 | C41H32O11 | O=C(OC[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |