natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD110211 | 2.65 | 592.73 | C32H48O10 | CO[C@@H]1[C@H](O)[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 |
|
GD110212 | 2.65 | 592.73 | C32H48O10 | CO[C@H]1[C@@H](O)[C@@H](C)O[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)[C@H]1O |
|
GD110214 | 2.81 | 590.71 | C32H46O10 | CO[C@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H](C[C@@H]4O[C@]45[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]35O)C2)[C@@H]1OC(C)=O |
|
GD110215 | 2.81 | 590.71 | C32H46O10 | CO[C@H]1[C@H](O)[C@H](C)O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H](C[C@@H]4O[C@]45[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]35O)C2)[C@@H]1OC(C)=O |
|
GD110216 | 2.81 | 590.71 | C32H46O10 | CO[C@H]1[C@H](O)[C@@H](C)O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H](C[C@@H]4O[C@]45[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]35O)C2)[C@@H]1OC(C)=O |
|
GD110217 | 2.81 | 590.71 | C32H46O10 | CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H](C[C@@H]4O[C@]45[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]35O)C2)[C@@H]1OC(C)=O |
|
GD110220 | 2.51 | 522.6 | C26H38O9N2 | CCOC(=O)OC[C@H]1O[C@H](Oc2nn(C(C)C)c(C)c2Cc2ccc(OC(C)C)cc2)[C@H](O)[C@@H](O)[C@@H]1O |
|
GD110221 | 2.86 | 656.59 | C32H32O15 | COc1ccc(-c2coc3cc(O[C@@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)cc(OC(C)=O)c3c2=O)cc1 |
|
GD110222 | 2.7 | 742.64 | C35H34O18 | CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(OC(C)=O)c(OC(C)=O)c4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110223 | 2.86 | 656.59 | C32H32O15 | COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)cc(OC(C)=O)c3c2=O)cc1 |