natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD031547 | -0.36 | 240.26 | C12H16O5 | OC[C@@H]1O[C@H](OCc2ccccc2)[C@H](O)[C@H]1O |
|
GD031549 | 3.85 | 676.84 | C34H60O13 | CCCCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD031566 | 5.08 | 634.85 | C36H58O9 | CC(=O)O[C@@H]1[C@H](O[C@@H]2CC[C@]3(CO)C(=CC[C@H]4[C@@H]5CC[C@@H]([C@H](C)CCCC(C)(C)OC(C)=O)[C@]5(C)CC[C@H]43)C2)OC[C@H](O)[C@H]1O |
|
GD031569 | 0.23 | 458.42 | C23H22O10 | CC(=O)OC[C@@H]1O[C@H](Oc2cccc3c2C(=O)c2c(O)cc(C)cc2C3=O)[C@H](O)[C@H](O)[C@H]1O |
|
GD031573 | -0.34 | 386.44 | C19H30O8 | CC(=O)C=C[C@@]12O[C@H](CC1(C)C)C[C@]2(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD031600 | 8.77 | 795.45 | C44H67O11Cl | CCCCC(Cl)CCCC[C@H](C)[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)c1cc(O)c([C@H](CCCC)CCCC[C@H](C)[C@H](OC(C)=O)c2cc(O)cc(O)c2)c(O)c1 |
|
GD031608 | -1.41 | 332.31 | C14H20O9 | COc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(O)c1OC |
|
GD031611 | 1.69 | 940.68 | C41H32O26 | O=C(OC[C@@H]1OC(OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 |
|
GD031615 | -7.95 | 583.6 | C21H41O12N7 | CN[C@@H]1C(OC2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](NC(=N)N)[C@@H](O)[C@H]3NC(=N)N)OC(C)[C@@]2(O)CO)OC(CO)C(O)C1O |
|
GD031622 | 0.0 | 391.43 | C17H25O4N7 | Nc1nc(NN=CC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O |