aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12991 | 1.19 | 299.27 | C13H11O3N6 | Nc1nc2c(c(ONC(=O)OCc3ccccc3)n1)N=C[N]2 |
|
AD12992 | 2.16 | 151.58 | C8H4N2Cl | ClC1=Nc2ccccc2[N]1 |
|
AD12993 | 0.77 | 114.12 | CH6O4S | COS(O)(O)O |
|
AD12994 | 2.83 | 176.24 | C10H8OS | Oc1cccc2c(S)cccc12 |
|
AD12995 | 2.77 | 396.52 | C21H24O2N4S | Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1 |
|
AD12996 | 5.87 | 746.74 | C31H57O13N2FP2 | CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O)OP(=O)(O)OC |
|
AD12997 | 2.0 | 451.35 | C17H27O9NP2 | COP(=O)(O)OC(C1CC(CNC(C)=O)C(OCc2ccccc2)C1)P(=O)(O)O |
|
AD12998 | 3.24 | 248.41 | C12H26O2NS | CCCCCCN(CCCCCC)[S](=O)=O |
|
AD12999 | 6.07 | 1225.34 | C59H60O19N4S3 | CNC(C)C1CCC(NC(=O)OCC2c3ccccc3-c3ccc(S(=O)(=O)O)cc32)C(OC2C(NC(=O)OCC3c4ccccc4-c4ccc(S(=O)(=O)O)cc43)CC(NC(=O)OCC3c4ccccc4-c4ccc(S(=O)(=O)O)cc43)C(O)C2O)O1 |
|
AD13000 | 6.02 | 360.44 | C20H16ON4S | COc1ccc(N=Nc2c(-c3ccccc3)[nH]c(=S)c(C#N)c2C)cc1 |