aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12311 | 1.34 | 856.72 | C25H39O17N4P3S3 | Cc1cn(C2CC(OCCC(O)CCOP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)S)C(COP(=O)(O)S)O2)c(=O)[nH]c1=O |
|
AD12312 | -0.66 | 226.17 | C6H15O5N2P | COP(=O)(O)OCC(N)CCC(N)=O |
|
AD12313 | 0.42 | 195.22 | C10H13O3N | COc1ccc(C(=O)NCCO)cc1 |
|
AD12314 | 1.14 | 184.26 | C8H12ON2S | CN(C)Cc1ccc(O)c(S)n1 |
|
AD12315 | 5.22 | 486.69 | C30H46O5 | CC(C)CCC(=O)C1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13 |
|
AD12316 | 3.06 | 306.27 | C14H11N5F3 | FC(F)(F)c1cccc(CCNc2ncnc3c2N=C[N]3)c1 |
|
AD12317 | 1.95 | 257.25 | C14H11O4N | O=C(CC(=O)c1ccc(O)cc1O)c1cccnc1 |
|
AD12318 | 0.34 | 373.41 | C20H23O6N | C=CC1C(O)OC=C(C(=O)OC)C1C=Cc1ccc[n+](CCCC(=O)[O-])c1 |
|
AD12319 | 1.65 | 261.06 | C8H8ONI | CNC(=O)c1ccccc1I |
|
AD12320 | 1.86 | 295.28 | C14H11O2N6 | O=[N+]([O-])c1ccc2c(c1)CN(c1ncnc3c1N=C[N]3)CC2 |