natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD111236 | 3.5 | 575.96 | C30H22O8N3Cl | O=C(OC[C@H]1O[C@@H](n2ncc(Cl)nc2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD111237 | 3.5 | 575.96 | C30H22O8N3Cl | O=C(OC[C@H]1O[C@@H](n2ncc(Cl)nc2=O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD111238 | 3.5 | 575.96 | C30H22O8N3Cl | O=C(OC[C@H]1O[C@@H](n2ncc(Cl)nc2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD111245 | 3.08 | 640.59 | C32H32O14 | CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCCO5)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD111246 | 3.04 | 637.43 | C28H29O12Br | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111247 | 3.04 | 637.43 | C28H29O12Br | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111248 | 3.08 | 640.59 | C32H32O14 | CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCCO5)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD111249 | 3.47 | 664.88 | C37H60O10 | CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O)[C@@H]4C2(C)C)OC[C@@H](O)[C@@H]1O |
|
GD111250 | 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 |
|
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 |