natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD109440 | 2.04 | 579.58 | C26H29O12NS | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109441 | 2.04 | 579.58 | C26H29O12NS | CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109442 | 2.04 | 579.58 | C26H29O12NS | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109443 | 2.04 | 579.58 | C26H29O12NS | CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109476 | 2.23 | 550.69 | C30H46O9 | CO[C@H]1C[C@H](O[C@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O |
|
GD109502 | 2.25 | 592.53 | C28H29O13F | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)COc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109503 | 2.44 | 630.6 | C31H34O14 | CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCCO4)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109504 | 2.42 | 576.53 | C28H29O12F | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109505 | 2.42 | 576.53 | C28H29O12F | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109506 | 2.12 | 604.56 | C29H32O14 | COc1ccc(OCC(=O)c2ccc(O[C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)cc2O)cc1 |