natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD120142 | -4.31 | 2139.34 | C101H159O47N | C=CC(C)(O)CCC=C(C)C(=O)OC1C(OC(C)(C=C)CCC=C(C)C(=O)OCC2OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(COC8OCC(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C(O)C7N=C(C)O)C(C)(C)C6CCC5(C)C3(C)CC4O)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)OCC(O)C1O |
|
GD120143 | 1.15 | 827.02 | C43H70O15 | CC(=O)OC1C(OC2CCC34CC35CCC3(C)C(C6(C)CC(C(C)(C)O)CO6)C(O)CC3(C)C5CC(OC3OC(CO)C(O)C(O)C3O)C4C2(C)C)OCC(O)C1O |
|
GD120144 | -1.17 | 350.35 | C13H18O9S | O=S(=O)(O)OC1C(OCc2ccccc2)OC(CO)C(O)C1O |
|
GD120145 | 2.08 | 826.9 | C44H50O12N4 | CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C(CC34c5ccccc5CCC3CCC4N)C2C(=O)O)ccc1O |
|
GD120146 | 6.08 | 1079.72 | C56H83O17N2Cl | CC(=O)OC(C)C=CC(O)=NC1CC(C)C(CC=C(C)C=CC2CC(O)(CCl)CC(CC(=O)OCC3(O)C(O)C(C=CC(C)=CCC4OC(C)C(N=C(O)C=CC(C)OC(C)=O)CC4C)OC(C)(O)C3O)O2)OC1C |
|
GD120147 | -2.32 | 324.18 | C9H13O9N2P | O=c1nc(O)ccn1C1OC(COP(=O)(O)O)C(O)C1O |
|
GD120148 | -1.49 | 564.5 | C26H28O14 | O=c1cc(-c2ccc(OC3OC(CO)C(OC4OC(CO)C(O)C4O)C(O)C3O)cc2)oc2cc(O)cc(O)c12 |
|
GD120149 | -6.31 | 525.56 | C20H39O11N5 | CC(O)=NC1C(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)OC(CN)C(O)C1O |
|
GD120150 | -3.22 | 742.64 | C32H38O20 | CC1OC(OCC2OC(Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c3)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
|
GD120151 | 0.4 | 758.94 | C39H66O14 | CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O |