aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD09981 | -2.54 | 1212.39 | C49H67O13N18S3 | Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)CC(=O)Nc3ccc([N+](=O)[O-])cc3)cs2)cs1)C(C)O)C(O)c1c[nH]cn1 |
|
AD09982 | 3.71 | 282.34 | C18H18O3 | C=CCc1ccc(O)c(-c2cc(C(O)C=C)ccc2O)c1 |
|
AD09983 | 2.62 | 195.22 | C12H9N3 | c1ccc2cc(-c3nc[nH]n3)ccc2c1 |
|
AD09984 | 7.94 | 597.84 | C35H55O5N3 | CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)CCCCOc1ccc(N=Nc2ccccc2)cc1 |
|
AD09985 | -0.85 | 74.15 | C4H12N | CC[NH+](C)C |
|
AD09986 | 2.95 | 276.38 | C16H24O2N2 | CCCCCCCCCCC#Cc1c[nH]c(=O)[nH]c1=O |
|
AD09987 | 2.42 | 260.38 | C16H24ON2 | CCC(=O)NCC1CCN(Cc2ccccc2)CC1 |
|
AD09988 | 3.2 | 356.37 | C20H20O6 | COc1cc(C2OCC3C(c4ccc5c(c4)OCO5)OCC23)ccc1O |
|
AD09989 | 1.3 | 316.36 | C11H12O5N2S2 | COn1cc(CC(S)=NOS(=O)(=O)O)c2ccccc21 |
|
AD09990 | 3.89 | 410.46 | C23H20ON7 | Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3C3=N[N]N=N3)cc1)C(=O)CC2 |