synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD113726 | 8.47 | 746.97 | C40H42O8S3 | CCSC(SCC)[C@H](SCC)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1 |
|
GD113719 | 8.47 | 746.97 | C40H42O8S3 | CCSC(SCC)[C@@H](SCC)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1 |
|
GD113722 | 8.47 | 746.97 | C40H42O8S3 | CCSC(SCC)[C@H](SCC)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1 |
|
GD110680 | 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 |
|
GD113729 | 9.71 | 796.96 | C47H40O8S2 | O=C(OC[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(SCc1ccccc1)SCc1ccccc1)c1ccccc1 |
|
GD110926 | 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 |
|
GD113730 | 9.71 | 796.96 | C47H40O8S2 | O=C(OC[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(SCc1ccccc1)SCc1ccccc1)c1ccccc1 |
|
GD113727 | 9.71 | 796.96 | C47H40O8S2 | O=C(OC[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(SCc1ccccc1)SCc1ccccc1)c1ccccc1 |
|
GD113728 | 9.71 | 796.96 | C47H40O8S2 | O=C(OC[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(SCc1ccccc1)SCc1ccccc1)c1ccccc1 |
|
GD110811 | 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 |