natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD114953 | 5.37 | 1353.68 | C68H120O26 | CCCCCCCCCCCC(=O)OC1C(OC2C(C)OC3OC4C(OC(CCCCC)CCCCCCCCCC(=O)OC3C2O)OC(CO)C(O)C4O)OC(C)C(OC2OC(C)C(OC(=O)CCCCCCCCC)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O |
|
GD114954 | -0.65 | 1147.31 | C56H90O24 | COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7=CC(O)C89C(=O)OC(C)(CCCC(C)(C)OC(C)=O)C8CCC9(C)C7CCC6C5(C)C)OCC(O)C4O)C(O)C3O)C2O)C1O |
|
GD114955 | 0.64 | 560.52 | C27H24O8N6 | O=C1c2ccccc2C(=O)N1C(Cc1ccccc1)C(O)=Nc1nc(O)c2ncn(C3OC(CO)C(O)C3O)c2n1 |
|
GD114956 | 8.75 | 729.01 | C46H64O7 | CC(C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC1OC(CO)C(O)C(O)C1O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C |
|
GD114957 | 7.74 | 1291.71 | C67H122O21N2 | CCCCCCCCC=CCCCCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O3)C2O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC |
|
GD114958 | 1.12 | 724.88 | C38H60O13 | CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1(O)C2C |
|
GD114959 | -2.47 | 667.66 | C31H41O15N | C=CC1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)OC=C2C(=O)N3CCc4cc(OC)c(O)cc4C3CC21 |
|
GD114960 | -2.24 | 464.51 | C21H36O11 | C=C(C)C1CCC(C)(O)C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C1 |
|
GD114961 | 1.8 | 610.74 | C32H50O11 | CC1=C(CCc2ccoc2)C2(C)CCC(OC3OC(C)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(C)(C)C2CC1 |
|
GD114962 | -0.15 | 626.65 | C30H42O14 | OCC1(O)OC(OCC2OC(OC(CCCCc3ccc(O)c(O)c3)CCc3ccc(O)c(O)c3)C(O)C(O)C2O)CC1O |