natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD110345 | 2.93 | 592.98 | C29H29O12Cl | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110346 | 2.93 | 592.98 | C29H29O12Cl | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110347 | 2.64 | 563.42 | C22H27O10SBr | CC(=O)OC[C@@H]1O[C@@H](SCCOc2ccc(Br)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110348 | 2.64 | 563.42 | C22H27O10SBr | CC(=O)OC[C@H]1O[C@@H](SCCOc2ccc(Br)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110350 | 2.79 | 580.97 | C28H29O12Cl | CC(=O)OC[C@@H]1O[C@H](Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110355 | 2.87 | 698.63 | C34H34O16 | CCOC(=O)c1oc2cc(O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 |
|
GD110356 | 2.87 | 698.63 | C34H34O16 | CCOC(=O)c1oc2cc(O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 |
|
GD110357 | 2.87 | 698.63 | C34H34O16 | CCOC(=O)c1oc2cc(O[C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 |
|
GD110358 | 2.87 | 698.63 | C34H34O16 | CCOC(=O)c1oc2cc(O[C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 |
|
GD110363 | 2.66 | 678.86 | C37H58O11 | CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)[C@@H](O)[C@@]34O[C@H](C(C)(C)O)[C@@H](C[C@@H](C)[C@@H]3[C@@]12C)O4 |