aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17131 | 2.02 | 198.21 | C11H8ON3 | Cc1ncnc2c1C(c1ccoc1)=C[N]2 |
|
AD17132 | 2.22 | 229.29 | C11H9N4S | CNc1ncnc2c1C(c1ccsc1)=C[N]2 |
|
AD17133 | 1.63 | 295.33 | C15H15ON6 | CC(=O)NCc1ccccc1CNc1ncnc2c1N=C[N]2 |
|
AD17134 | -3.76 | 2105.21 | C61H80O46N22P8 | Cc1cn(C2CC(OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC34NCOC(C(n5cc(C)c(=O)[nH]c5=O)O3)C4O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O |
|
AD17135 | 2.58 | 398.29 | C14H16O2N5SBr | Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCO)c2n1 |
|
AD17136 | 5.86 | 444.7 | C29H48O3 | CC1(C)CCC2(O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD17137 | 5.96 | 586.85 | C36H58O6 | CCCC=CC(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C12CO |
|
AD17138 | 8.7 | 565.92 | C35H67O4N | CCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=C(C)CCCCCC |
|
AD17139 | 2.31 | 344.28 | C17H12O8 | COc1cc(-c2oc3cc4c(c(O)c3c(=O)c2O)OCO4)ccc1O |
|
AD17140 | 3.03 | 414.44 | C19H31O6N2P | COP(=O)(NC(C)C(=O)OCc1ccccc1)NC(C)C(=O)OCC(C)(C)C |