aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03481 | -0.76 | 292.3 | C12H16O3N6 | O=C(O)C(O)Cn1cc(Cn2nnc3c2CCCC3)nn1 |
|
AD03482 | -0.34 | 190.11 | C2H7O6PS | COP(=O)(O)CS(=O)(=O)O |
|
AD03483 | 2.63 | 315.34 | C18H13ON5 | Nc1nc(=O)[nH]c2ncc(-c3ccc(-c4ccccc4)cc3)nc12 |
|
AD03484 | 3.35 | 394.4 | C22H20O6N | CC(C)=CCc1cc(C(=O)Nc2c([O-])c3ccc(O)c(C)c3oc2=O)ccc1O |
|
AD03485 | 1.42 | 282.29 | C13H12ON7 | COc1cccc(C=NNc2nc(N)c3c(n2)[N]C=N3)c1 |
|
AD03486 | 1.74 | 170.24 | C5H4N3S2 | CSC1=Nc2cnsc2[N]1 |
|
AD03487 | -0.81 | 287.36 | C13H25O4N3 | NC1CC(N)C(OC(=O)NC2CCCCC2)C(O)C1O |
|
AD03488 | 2.68 | 244.25 | C14H12O4 | Oc1ccc(C=Cc2cc(O)cc(O)c2O)cc1 |
|
AD03489 | 3.44 | 244.37 | C14H28O3 | CCCCCCCCCCCC(=O)OCCO |
|
AD03490 | 2.83 | 176.24 | C10H8OS | Oc1ccc2cc(S)ccc2c1 |