synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD109850 | 1.18 | 588.76 | C33H50O8N | CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@@H](O[C@H]5O[C@H](O)[C@@H](O)[C@@H](O)[C@H]5CO)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C |
|
GD109851 | 1.18 | 588.76 | C33H50O8N | CC1=C2C(=O)[C@@H]3[C@H](CC=C4C[C@@H](O[C@H]5O[C@H](O)[C@@H](O)[C@@H](O)[C@H]5CO)CC[C@@]43C)[C@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C |
|
GD109849 | 1.18 | 588.76 | C33H50O8N | CC1=C2C(=O)[C@@H]3[C@H](CC=C4C[C@@H](O[C@H]5O[C@H](O)[C@@H](O)[C@@H](O)[C@H]5CO)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C |
|
GD111251 | 3.12 | 620.82 | C35H56O9 | C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)[C@@H]5[C@@H](O)C[C@H]6C(C)(C)[C@@H](O[C@H]7OC[C@H](O)[C@@H](O)[C@@H]7O)CC[C@@]67C[C@@]57CC[C@]4(C)[C@@H]13)O[C@@H]2C(C)(C)O |
|
GD106682 | -0.46 | 652.62 | C26H36O17S | CC(=O)OC[C@H]1O[C@@H](S)[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 |
|
GD062364 | -3.28 | 365.24 | C10H16O8N5P | Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O[PH](O)(O)O)c(=O)[nH]1 |
|
GD110037 | 2.88 | 574.52 | C30H23O9N2F | O=C(OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD110038 | 2.88 | 574.52 | C30H23O9N2F | O=C(OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD110036 | 2.88 | 574.52 | C30H23O9N2F | O=C(OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD078329 | 0.87 | 399.45 | C20H25O4N5 | CC[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |