natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD111649 | 3.68 | 576.73 | C32H48O9 | CO[C@@H]1C[C@H](O[C@@H]2CC[C@@]3(C)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)[C@H](OC(C)=O)C[C@@]5(O)[C@@H]4CC[C@@H]3C2)O[C@H](C)[C@H]1O |
|
GD111651 | 3.68 | 576.73 | C32H48O9 | CO[C@H]1[C@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@@H]1OC(C)=O |
|
GD111652 | 3.68 | 576.73 | C32H48O9 | CO[C@@H]1[C@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@@H]1OC(C)=O |
|
GD111653 | 3.68 | 576.73 | C32H48O9 | CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@@H]1OC(C)=O |
|
GD111654 | 3.68 | 576.73 | C32H48O9 | CO[C@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@@H]1OC(C)=O |
|
GD111678 | 3.52 | 654.62 | C33H34O14 | CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111679 | 3.52 | 654.62 | C33H34O14 | CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111700 | 3.58 | 602.98 | C30H27O12Cl | CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111712 | 3.68 | 647.43 | C29H27O12Br | CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(Br)cc4)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111718 | 3.54 | 576.77 | C33H52O8 | C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 |