synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD110655 | 2.92 | 618.72 | C33H46O11 | CC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H]1OC(C)=O |
|
GD110656 | 2.92 | 618.72 | C33H46O11 | CC(=O)O[C@@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[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]1OC(C)=O |
|
GD110654 | 2.92 | 618.72 | C33H46O11 | CC(=O)O[C@@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[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]1OC(C)=O |
|
GD093721 | -9.88 | 472.56 | C18H42O9N5 | [NH3+]C[C@@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@@H]([NH3+])[C@H]3O)[C@H]2O)[C@@H]([NH3+])C[C@H]1O |
|
GD108759 | 0.83 | 595.41 | C25H23O5N8Br | Nc1ncnc2c1[nH]/c(=N\N=C1/C(=O)c3cc(Br)ccc3N1Cc1ccccc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
|
GD109171 | 2.44 | 560.55 | C28H32O12 | CC(=O)OC[C@H]1O[C@H](Oc2ccc3c4c(c(=O)oc3c2C)CCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108042 | 1.74 | 532.5 | C26H28O12 | CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2)CCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110389 | 2.72 | 556.52 | C28H28O12 | CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(oc(=O)c4ccccc43)c2C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110026 | 2.83 | 574.58 | C29H34O12 | CC(=O)OC[C@H]1O[C@H](Oc2ccc3c4c(c(=O)oc3c2C)CCCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD107518 | 0.47 | 591.59 | C27H29O12NS | COC(=O)[C@H](CCSC)NC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@@H](O)[C@@H](O)[C@H]1O |