natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD110740 | 3.11 | 524.56 | C26H36O11 | CCCCCCOc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1 |
|
GD110757 | 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 |
|
GD110759 | 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 |
|
GD110762 | 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 |
|
GD110763 | 3.06 | 586.52 | C29H27O12F | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccc4F)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110764 | 3.06 | 586.52 | C29H27O12F | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccccc4F)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110767 | 3.0 | 640.59 | C32H32O14 | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110768 | 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 |
|
GD110769 | 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 |
|
GD110770 | 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 |