aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17101 | 1.86 | 295.28 | C14H11O2N6 | O=[N+]([O-])c1cccc2c1CN(c1ncnc3c1N=C[N]3)CC2 |
|
AD17102 | 6.3 | 670.93 | C40H62O8 | CC=C(C)C(=O)OC1C(OC(=O)C2(C)OC2C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CO |
|
AD17103 | 2.11 | 392.26 | C14H12ON6SBr | Nc1ncnc2c1N=C(SCC(=O)NCc1cccc(Br)c1)[N]2 |
|
AD17104 | 3.87 | 266.32 | C15H10ON2S | N#Cc1ccccc1Cc1ncc(-c2ccco2)s1 |
|
AD17105 | -2.06 | 136.15 | C5H12O4 | OCC(CO)(CO)CO |
|
AD17106 | 2.21 | 215.3 | C13H17N3 | CNCc1cc(C)n(-c2cccnc2)c1C |
|
AD17107 | -0.7 | 131.13 | C5H9O3N | CCOC(=O)C(=O)NC |
|
AD17108 | 5.85 | 312.5 | C22H32O | CC1(C)C(=O)CCC2(C)C3=CCC4(C)CCCC4(C)C3=CCC12 |
|
AD17109 | -1.73 | 803.93 | C31H45O7N15S2 | CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1cnc2c(O)nc(N)nc21)C(=O)Cn1cnc2c(O)nc(N)nc21 |
|
AD17110 | 4.39 | 318.84 | C20H23O2Cl | CCc1ccc(Cc2ccc(COCCCO)cc2Cl)cc1 |