aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14731 | 1.44 | 197.61 | C8H6ON4Cl | CCOc1nc(Cl)nc2c1N=C[N]2 |
|
AD14732 | 3.27 | 404.25 | C21H15O3N3Cl2 | OCC(O)C(O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3cc12 |
|
AD14733 | 4.84 | 484.64 | C27H40O4N4 | CCCCCCCCCCCCCC(=O)NC(Cc1ccc(O)cc1)C(=O)Nc1cc[nH]c(=O)n1 |
|
AD14734 | 7.15 | 454.7 | C30H46O3 | CC1=C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1C |
|
AD14735 | 2.25 | 236.32 | C10H14N5S | CCCCCSc1nc(N)c2c(n1)[N]C=N2 |
|
AD14736 | 5.82 | 342.66 | C17H8N2Cl3S | Clc1cc2c(cc1Cl)N=C(SCc1ccccc1Cl)[N]2 |
|
AD14737 | 3.47 | 1495.65 | C64H66O19N14S5 | C=C(NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)NC(C(C)O)C(=O)NC(=C(C)OC)c2nc(cs2)C(=O)NC2c4nc(cs4)C(=O)NC(COC(=O)c4c5c6c(cccc6n4OCCCO)COC(=O)C(OC4CC(C)(O)C(N(C)C)C(C)O4)C2OC5)c2nc-3cs2)n1)C(N)=O |
|
AD14738 | 0.47 | 138.95 | C2H3O2Br | O=C(O)CBr |
|
AD14739 | 1.12 | 636.95 | C27H52O5N6S3 | NCCCCCCNC(=O)C(CCCCNC(=O)CCS)NC(=O)C(CCCCNC(=O)CCS)NC(=O)CCS |
|
AD14740 | 2.84 | 246.31 | C14H18O2N2 | Cc1cc(O)ccc1Cc1c(O)n[nH]c1C(C)C |