aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06231 | 3.07 | 261.71 | C15H12O2NCl | CNC(=O)c1cccc(-c2ccc(O)c(Cl)c2)c1 |
|
AD06232 | 3.44 | 295.26 | C15H12O2NF3 | CNC(=O)c1cccc(-c2ccc(O)c(C(F)(F)F)c2)c1 |
|
AD06233 | 0.46 | 190.21 | C9H10ON4 | OC1CCN=C2c3cc[nH]c3N=CN21 |
|
AD06234 | -0.1 | 112.07 | C3H2O2N3 | O=C(O)C1=C[N]N=N1 |
|
AD06235 | 3.45 | 1259.62 | C64H114O20N4 | C=CCON=C1C(C)CC(C)(O)C(OC2OC(C)CC(N(C)CCN(C)C3CC(C)OC(OC4C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=NOCC=C)C(C)CC4(C)O)C3O)C2O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C1C |
|
AD06236 | 2.39 | 188.23 | C9H6N3S | Cc1ncnc2c1-c1ccsc1[N]2 |
|
AD06237 | -0.14 | 400.44 | C20H24O5N4 | O=c1ccn(C2OC(C(O)CNCCc3c[nH]c4ccccc34)CC2O)c(=O)[nH]1 |
|
AD06238 | 2.03 | 571.63 | C28H37O8N5 | COCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NNC(=O)c1cc(NC(C)=O)ccc1OC |
|
AD06239 | 3.94 | 277.29 | C16H14NF3 | FC(F)(F)c1ccc(C2NCCc3ccccc32)cc1 |
|
AD06240 | 0.72 | 570.58 | C25H26O8N6S | NC(=O)CSCC(=O)N(Cc1ccc2nc(N)nc(O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 |