aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21731 | 3.51 | 328.42 | C16H18ON5S | CCCSc1nc2c(c(NCc3ccc(OC)cc3)n1)N=C[N]2 |
|
AD21732 | 2.54 | 552.53 | C29H28O11 | COc1cc(C=CC(=O)OCC23OC2C(OC(=O)C=Cc2ccc(O)c(OC)c2)C2C=COC(O)C23)ccc1O |
|
AD21733 | 1.46 | 201.23 | C11H11ON3 | O=C(NC1CC1)c1ccc2[nH]cnc2c1 |
|
AD21734 | 1.99 | 278.33 | C14H14O4S | O=S(=O)(Oc1ccc(CCO)cc1)c1ccccc1 |
|
AD21735 | 3.64 | 326.45 | C17H20N5S | CCC(C)CNC1=Nc2c(ncnc2SCc2ccccc2)[N]1 |
|
AD21736 | 1.62 | 301.37 | C15H21ON6 | C1=Nc2c(nc(COC3CCNC3)nc2NC2CCCC2)[N]1 |
|
AD21737 | 1.31 | 313.37 | C13H13N8S | CN(NC(=S)Nc1ccccc1)c1nc(N)c2c(n1)[N]C=N2 |
|
AD21738 | 2.64 | 305.42 | C15H15O2NS2 | CNS(=O)(=O)c1ccc(C#CCCc2ccccc2)s1 |
|
AD21739 | 5.11 | 688.94 | C40H64O9 | CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)C(O)C2O |
|
AD21740 | 8.25 | 654.94 | C41H58O3N4 | CC(=O)c1ccc(-n2cc(CNC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(C)CC4)nn2)cc1 |