synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD113257 | 5.15 | 632.83 | C36H56O9 | CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
|
GD108795 | 4.34 | 730.85 | C30H50O16S2 | C=C1[C@H](O)[C@@]23CC[C@@H]4[C@H](C(=O)O)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](OS(O)(O)O)[C@H](OS(O)(O)O)[C@H]5OC(=O)CC(C)C)C[C@@]4(C)[C@@H]2CC[C@@H]1C3 |
|
GD093454 | -1.36 | 480.47 | C23H28O11 | C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
|
GD104544 | 1.8 | 464.56 | C25H36O8 | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O |
|
GD099742 | 0.15 | 464.51 | C24H32O9 | C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O |
|
GD105634 | -2.93 | 509.24 | C11H22O12N5P3 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)C[PH](O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O |
|
GD105635 | -2.93 | 509.24 | C11H22O12N5P3 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)O[PH](O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O |
|
GD107780 | 0.05 | 719.43 | C24H28O15N5P3 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O)[C@@H](OC(=O)c2ccc(C(=O)c3ccccc3)cc2)[C@H]1O |
|
GD052820 | -1.51 | 347.13 | C10H11O5N4Br | O=c1[nH]cnc2c1nc(Br)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O |
|
GD053339 | -1.51 | 347.13 | C10H11O5N4Br | O=c1[nH]cnc2c1nc(Br)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O |