aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD07931 | 4.03 | 379.73 | C17H9ON5F3Cl | Cc1nc2ccc(C(F)(F)F)nc2n2c(-c3cc(O)ccc3Cl)nnc12 |
|
AD07932 | 1.13 | 114.14 | C6H10O2 | C=CCCC(=O)OC |
|
AD07933 | 5.59 | 1497.76 | C76H104O16N16 | CC(C)(C)c1cc2c(Oc3cn(CC(=O)NCCOCCO)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1Oc1cn(CC(=O)NCCOCCO)nn1)Cc1cc(C(C)(C)C)cc(c1Oc1cn(CC(=O)NCCOCCO)nn1)Cc1cc(C(C)(C)C)cc(c1Oc1cn(CC(=O)NCCOCCO)nn1)C2 |
|
AD07934 | 0.85 | 232.29 | C12H16ON4 | CN(C)CCNC(=O)c1ccc2[nH]cnc2c1 |
|
AD07935 | -0.3 | 135.19 | C4H9O2NS | CNS(=O)(=O)C1CC1 |
|
AD07936 | -0.44 | 201.21 | C9H9N6 | CNCC#CC1=Nc2c(N)ncnc2[N]1 |
|
AD07937 | 6.19 | 544.77 | C33H52O6 | CC(=O)OCOC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2 |
|
AD07938 | -0.1 | 140.12 | C6H6O3N | O=C(O)c1c[nH+]cc(O)c1 |
|
AD07939 | 4.07 | 570.76 | C31H54O9 | COC1CC(C)OC2(OC(C)(C3CCC(C4CCC(C5OC(C)(O)C(C)C(OC)C5C)O4)O3)C(OC)C2C)C1C |
|
AD07940 | -0.92 | 361.35 | C18H19O7N | C=CC1C(O)OC=C(C(=O)O)C1C=Cc1cc(C(=O)[O-])c[n+](CCO)c1 |