aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22251 | 4.75 | 368.5 | C22H30O2N3 | CCCC1C2CCc3cc(OCC4=C[N]N=N4)ccc3C2CCC1(C)CO |
|
AD22252 | -0.84 | 432.22 | C16H18O8NBr | O=C(NC1C(O)C(O)C2OCOC2C1O)C(Br)=Cc1ccc(O)c(O)c1 |
|
AD22253 | 6.07 | 390.61 | C25H42O3 | C=C1CCC2C(C)(C)CCCC2(C)C1CC(O)C(C)=CCOC(=O)CC(C)C |
|
AD22254 | -3.83 | 1115.31 | C46H70O11N18S2 | CC(=O)NCCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(O)c3c[nH]cn3)C(C)O)n2)n1 |
|
AD22255 | 4.12 | 496.73 | C29H52O6 | COC(CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C)OC |
|
AD22256 | 4.63 | 446.54 | C22H16O2N5S2 | Nc1nc2c(c(SCc3cc4ccccc4oc3=O)n1)N=C(SCc1ccccc1)[N]2 |
|
AD22257 | 0.09 | 219.23 | C9H11ON6 | CN(C)c1ncnc2c1C(C(=N)NO)=C[N]2 |
|
AD22258 | 0.99 | 118.12 | C6H4N3 | C1=Nc2cccnc2[N]1 |
|
AD22259 | 4.53 | 298.75 | C18H12N2FCl | Fc1ccc(-c2ccc(Cc3ccccc3Cl)nn2)cc1 |
|
AD22260 | 3.69 | 400.52 | C24H32O5 | CC1=CCC(O)C2(C)C(OC(=O)C=Cc3ccc(O)cc3)CC(C(C)C)C(O)C12 |