natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD110847 | 3.03 | 506.51 | C28H26O9 | CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@H](O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 |
|
GD110848 | 3.15 | 721.68 | C38H31O12N3 | COC(=O)c1cc(Cn2c(=O)cnn([C@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c2=O)ccc1O |
|
GD110849 | 3.15 | 721.68 | C38H31O12N3 | COC(=O)c1cc(Cn2c(=O)cnn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c2=O)ccc1O |
|
GD110850 | 3.3 | 633.65 | C34H35O11N | CC(=O)OC[C@H]1O[C@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110852 | 3.3 | 633.65 | C34H35O11N | CC(=O)OC[C@H]1O[C@@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110854 | 3.04 | 637.43 | C28H29O12Br | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110855 | 3.08 | 640.59 | C32H32O14 | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCCO5)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110856 | 3.08 | 640.59 | C32H32O14 | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCCO5)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110857 | 3.04 | 637.43 | C28H29O12Br | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110858 | 3.0 | 640.59 | C32H32O14 | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |