natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD111330 | 3.23 | 582.56 | C30H30O12 | CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD111331 | 3.23 | 582.56 | C30H30O12 | CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111357 | 3.04 | 554.55 | C29H30O11 | CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD111358 | 3.04 | 554.55 | C29H30O11 | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD111360 | 3.04 | 554.55 | C29H30O11 | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD111361 | 3.04 | 554.55 | C29H30O11 | CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD111362 | 3.25 | 624.78 | C35H48O8N2 | C[C@@H]1O[C@H](O[C@H]2CC[C@]3(/C=N/Cc4ccncc4)[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](O)[C@H]1O |
|
GD111363 | 3.25 | 624.78 | C35H48O8N2 | C[C@@H]1O[C@H](O[C@H]2CC[C@]3(/C=N/Cc4ccncc4)[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](O)[C@@H]1O |
|
GD111364 | 3.25 | 624.78 | C35H48O8N2 | C[C@@H]1O[C@H](O[C@H]2CC[C@]3(/C=N/Cc4ccncc4)[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](O)[C@@H]1O |
|
GD111365 | 3.25 | 624.78 | C35H48O8N2 | C[C@@H]1O[C@H](O[C@H]2CC[C@]3(/C=N/Cc4ccncc4)[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](O)[C@H]1O |