aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15921 | 8.01 | 753.01 | C42H60O8N2S | CC1(C)CCC2(C(=O)OCCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD15922 | 1.95 | 173.55 | C7H4O3NCl | O=[N+]([O-])c1ccc(O)c(Cl)c1 |
|
AD15923 | 2.36 | 423.52 | C23H29O3N5 | COc1ccccc1N1CCN(Cc2cn(-c3ccc(OCCCO)cc3)nn2)CC1 |
|
AD15924 | 3.64 | 363.16 | C16H11O5Br | COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2Br)cc1 |
|
AD15925 | -1.12 | 201.17 | C7H5N8 | N#CN=C(N)C1=C[N]c2nnnc(N)c21 |
|
AD15926 | 4.51 | 355.4 | C18H24ON3F3 | CC(C)N(C)C1CC(CCc2nc3cc(OC(F)(F)F)ccc3[nH]2)C1 |
|
AD15927 | 3.24 | 322.39 | C18H20ON5 | Cc1ccc(COC2CCCC2Nc2ncnc3c2N=C[N]3)cc1 |
|
AD15928 | 3.31 | 314.33 | C18H12ON5 | O=C(Nc1ncnc2c1N=C[N]2)c1ccc(-c2ccccc2)cc1 |
|
AD15929 | 3.63 | 504.71 | C30H48O6 | CC1C2OC(C)(C)C(O)C2(O)OC2C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C1(C)C2O |
|
AD15930 | 2.06 | 217.22 | C12H11O3N | COC(=O)C=Cc1[nH]c2ccccc2c1O |