aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15351 | 3.56 | 486.44 | C25H18O7N4 | COc1ccc2c(c1)Oc1cc(O)ccc1C2=C1C=CC(=Nc2nc(O)nc(OC)n2)C=C1C(=O)O |
|
AD15352 | 6.84 | 841.91 | C45H66O10N2Cl2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C3CCCC3)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCc3ccc(Cl)c(Cl)c3)C(=O)OC12C |
|
AD15353 | 2.95 | 700.91 | C36H64O11N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C(C)(O)CC(C)C(OCc2cc(C)on2)C(C)C(O)C1(C)O |
|
AD15354 | 3.15 | 359.37 | C19H15O2N6 | O=C(COc1ccc(Nc2ncnc3c2N=C[N]3)cc1)Nc1ccccc1 |
|
AD15355 | 1.26 | 146.17 | C8H8N3 | CCc1ncnc2c1C=C[N]2 |
|
AD15356 | -0.06 | 164.15 | C6H6ON5 | COC1=Nc2c(N)ncnc2[N]1 |
|
AD15357 | 5.01 | 371.48 | C24H25ON3 | CC(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=NO |
|
AD15358 | 3.26 | 877.13 | C45H76O11N6 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)Cc3cccc(-c4cn(CCCCCCC(=O)NO)nn4)c3)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O |
|
AD15359 | 0.66 | 180.22 | C6H6N5S | CSC1=Nc2c(N)ncnc2[N]1 |
|
AD15360 | 1.91 | 322.35 | C17H16O2N5 | CCNc1nc(C#CC(O)c2cccc(OC)c2)nc2c1N=C[N]2 |