natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD115333 | 5.07 | 720.94 | C40H64O11 | CCC(=O)C1(C)OC1C(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)C(C)=CCCCC(OC2CC(O)C(O)C(C)O2)C=CC(C)C(O)C1C |
|
GD115334 | -0.97 | 576.6 | C29H36O12 | C=CC(C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1 |
|
GD115335 | 3.22 | 636.87 | C36H60O9 | CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3=CC(O)C12C |
|
GD115336 | -5.03 | 612.54 | C27H32O16 | O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(O)C2OCC(O)C(O)C2O)C1=O |
|
GD115337 | 1.96 | 822.94 | C42H62O16 | CC12CCC3(C)C(=C1CC(C)(C(=O)O)C(OC1OC(C(=O)O)C(O)C(O)C1O)C2)C=CC1C2(C)CCC(OC4OC(C(=O)O)C(O)C(O)C4O)C(C)(C)C2CCC13C |
|
GD115338 | 1.14 | 703.7 | C36H37O12N3 | O=C(O)C1C(CCc2ccccc2)c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1 |
|
GD115339 | -0.37 | 368.34 | C17H20O9 | COc1cc2ccc(=O)oc2cc1OC1OC(CO)C(OC)C(O)C1O |
|
GD115340 | 1.64 | 554.57 | C24H30O11N2S | CCOC(=O)c1ccc(NC(S)=NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1 |
|
GD115341 | -1.57 | 368.34 | C16H20O8N2 | NC(C(=O)O)c1c(OC2OC(CO)C(O)C(O)C2O)[nH]c2ccccc12 |
|
GD115342 | -1.17 | 1061.22 | C52H84O22 | CCC(C)C(=O)OC1C(O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OCC(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O |