aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD19921 | 1.66 | 275.33 | C13H13O2N3S | CC(=NNC(N)=S)c1cc2ccc(C)cc2oc1=O |
|
AD19922 | -0.31 | 196.22 | C6H6ON5S | CSc1nc2c(c(=O)[nH]1)N=C(N)[N]2 |
|
AD19923 | 0.81 | 240.3 | C13H20O4 | CC(=O)C=CC12OC(CC1(C)O)C(O)C2(C)C |
|
AD19924 | -0.63 | 209.21 | C8H11O2N5 | Nc1ncc2ncn(COCCO)c2n1 |
|
AD19925 | 3.68 | 468.59 | C28H36O6 | CC(=O)C1CCC23OC24CCC2CC(O)CCC2(C)C4C(OC(=O)c2ccccc2)C(O)C13C |
|
AD19926 | 3.36 | 297.75 | C17H12ON3Cl | NC1=Nc2ccccc2NC(=O)C1=Cc1ccc(Cl)cc1 |
|
AD19927 | 5.5 | 430.67 | C28H46O3 | C=C(CCC(C)C1C(O)CC2C3C(O)C=C4CC(O)CCC4(C)C3CCC21C)C(C)C |
|
AD19928 | 0.91 | 224.21 | C11H12O5 | COc1cc(C=CC(=O)OCO)ccc1O |
|
AD19929 | 5.37 | 410.45 | C25H20O3N3 | O=C(C=Cc1ccc(OCc2ccccc2)cc1)c1ccc(OCC2=C[N]N=N2)cc1 |
|
AD19930 | 1.44 | 210.18 | C6H5ON2F3S | O=C(NCC(F)(F)F)c1cscn1 |