natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD112053 | 3.52 | 654.62 | C33H34O14 | CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112055 | 3.68 | 647.43 | C29H27O12Br | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(Br)cc4)coc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112056 | 3.68 | 647.43 | C29H27O12Br | CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(Br)cc4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112060 | 3.68 | 647.43 | C29H27O12Br | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(Br)cc4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112062 | 3.58 | 602.98 | C30H27O12Cl | CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112063 | 3.58 | 602.98 | C30H27O12Cl | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112070 | 3.96 | 561.72 | C31H47O8N | C/C=C(\C)[C@H](O)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1nc(OC)c(OC)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c1C |
|
GD112071 | 3.96 | 561.72 | C31H47O8N | C/C=C(\C)[C@@H](O)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1nc(OC)c(OC)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c1C |
|
GD112072 | 3.96 | 561.72 | C31H47O8N | C/C=C(\C)[C@H](O)[C@@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1nc(OC)c(OC)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c1C |
|
GD112073 | 3.96 | 561.72 | C31H47O8N | C/C=C(\C)[C@@H](O)[C@@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1nc(OC)c(OC)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c1C |