aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11321 | -7.23 | 525.65 | C21H47O8N7 | NC1CC(N)C(O)C(OCC(O)CNCCNCCNC(O)COC2C(O)C(N)CC(N)C2O)C1O |
|
AD11322 | 2.06 | 201.23 | C12H11O2N | Cc1ccc(-c2c(O)cc[nH]c2=O)cc1 |
|
AD11323 | 1.24 | 364.4 | C18H24O6N2 | O=C(NCc1cccc(CNC(=O)OCC=CCO)c1)OCC=CCO |
|
AD11324 | -0.64 | 523.44 | C15H31O11N3P2S | CNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC |
|
AD11325 | 0.0 | 153.1 | C4H3O2N5 | [N-]=[N+]=Nc1c[nH]c(=O)[nH]c1=O |
|
AD11326 | 2.59 | 334.4 | C19H20ON5 | O=C(CNc1ncnc2c1C(c1ccccc1)=C[N]2)NC1CCCC1 |
|
AD11327 | -0.8 | 153.1 | C5H3O3N3 | O=c1[nH]c(=O)c2[nH]ncc2o1 |
|
AD11328 | 2.6 | 246.25 | C14H8N5 | C1=Nc2c(ncnc2-c2cccc3cccnc23)[N]1 |
|
AD11329 | 1.92 | 220.22 | C12H6N5 | N#Cc1cccc(-c2ncnc3c2N=C[N]3)c1 |
|
AD11330 | 6.09 | 377.45 | C23H13N4S | C1=Nc2c(ncnc2-c2cccc(-c3cccc4c3sc3ccccc34)c2)[N]1 |