natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD030664 | 1.31 | 804.84 | C40H52O17 | CC(=O)OC1C(O)C(C)OC(OC2C(OC(=O)C3CCC4C(C3)OC3(CC(OC(=O)C=Cc5ccccc5)C(C)CO3)C43CO3)OC(C)C(O)C2OC(C)=O)C1O |
|
GD030666 | -1.39 | 596.54 | C27H32O15 | COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c2c(=O)c3c(OC)ccc(OC)c3oc2c1 |
|
GD030671 | 1.03 | 710.81 | C36H54O14 | CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C(=O)O)[C@H](CC[C@@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD030672 | 1.16 | 598.6 | C31H34O12 | CO[C@@]12C[C@]3(C)OC(O1)[C@]1(COC(=O)c4ccccc4)[C@H]2C[C@]31O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O |
|
GD030673 | 1.0 | 598.6 | C31H34O12 | CO[C@@H]1O[C@]2(C)CC(=O)[C@@H]3C[C@@]2(O[C@@H]2O[C@H](COC(=O)c4ccccc4)[C@H](O)[C@H](O)[C@H]2O)[C@@]13COC(=O)c1ccccc1 |
|
GD030674 | 1.82 | 584.62 | C31H36O11 | CO[C@@H]1O[C@]2(C)CC[C@@H]3C[C@@]2(O[C@@H]2O[C@H](COC(=O)c4ccccc4)[C@H](O)[C@H](O)[C@H]2O)[C@]31COC(=O)c1ccccc1 |
|
GD030675 | 0.89 | 590.58 | C29H34O13 | CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](Oc2cc(O)c3c(=O)c(-c4ccc(O[C@H]5O[C@@H](C)[C@@H](O)[C@@H](OC)[C@@H]5O)cc4)coc3c2)[C@@H]1O |
|
GD030705 | 0.8 | 492.43 | C23H24O12 | COc1cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)c(=O)c2c(O)c1OC |
|
GD030717 | -7.57 | 504.44 | C18H32O16 | OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)C1O[C@H]1O[C@@H](CO)[C@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O |
|
GD030725 | -2.66 | 730.8 | C35H54O16 | C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(CO)[C@H]4[C@H](CC[C@@]3(O)C2)[C@]2(O)CC[C@@H](C3=CC(=O)OC3)[C@@]2(C)C[C@H]4O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |