aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20941 | 1.66 | 214.21 | C10H8ON5 | Cc1noc(C)c1-c1ncnc2c1N=C[N]2 |
|
AD20942 | 0.81 | 253.25 | C11H9N8 | Nc1nc(NN=Cc2ccccn2)nc2c1N=C[N]2 |
|
AD20943 | 0.54 | 597.63 | C28H35O8N7 | CC(NC(=O)CO)C(=O)NC(CCC(=O)NCCCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O |
|
AD20944 | 1.88 | 260.29 | C14H16O3N2 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1 |
|
AD20945 | -2.21 | 184.22 | C4H12O4N2S | NS(=O)(=O)NCCOCCO |
|
AD20946 | 4.19 | 546.75 | C32H50O7 | CC(=O)OC1C2C(C)(CCC(=O)C(C)(C)O)OCC23CCC24CC25CCC(O)C(C)(C)C5CCC4C3(C)C1O |
|
AD20947 | 2.58 | 176.21 | C11H12O2 | CC1(C)C=Cc2ccc(O)cc2O1 |
|
AD20948 | 3.57 | 482.38 | C25H21ON7Cl2 | NC(=O)C1(N)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 |
|
AD20949 | 2.39 | 386.36 | C20H18O8 | COc1cc(C2Oc3ccc4ccc(=O)oc4c3OC2CO)cc(OC)c1O |
|
AD20950 | 2.08 | 752.99 | C40H68O11N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCC(O)CNCCc2ccccc2)CC(C)C(=O)C(C)C(O)C1(C)O |