synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD085312 | 0.03 | 401.37 | C20H19O8N | O=c1c(-c2ccccn2)coc2cc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc12 |
|
GD085313 | 0.03 | 401.37 | C20H19O8N | O=c1c(-c2ccccn2)coc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc12 |
|
GD106296 | -0.42 | 585.56 | C26H35O14N | COc1cc(C(=O)N(CCO)CCO)ccc1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD106297 | -0.42 | 585.56 | C26H35O14N | COc1cc(C(=O)N(CCO)CCO)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108086 | -0.04 | 609.65 | C29H41O12N2 | COc1cc(C(=O)NCC[NH+]2CCCCC2)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108087 | -0.04 | 609.65 | C29H41O12N2 | COc1cc(C(=O)NCC[NH+]2CCCCC2)ccc1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109722 | 0.98 | 588.76 | C33H50O8N | CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@@H](C)C[NH2+][C@@H]1[C@@H]2C |
|
GD109720 | 0.98 | 588.76 | C33H50O8N | CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@@H]1[C@@H]2C |
|
GD109723 | 0.98 | 588.76 | C33H50O8N | CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@@H](C)C[NH2+][C@H]1[C@@H]2C |
|
GD109721 | 0.98 | 588.76 | C33H50O8N | CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@@H]2C |