aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03161 | 4.42 | 815.91 | C45H53O13N | CC=C(C)C(=O)NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C(C)(CCC4OCC43OC(C)=O)C(=O)C(OC(C)=O)C(=C1C)C2(C)C |
|
AD03162 | -0.06 | 360.24 | C11H15O7N5P | COP(=O)([O-])OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] |
|
AD03163 | 2.87 | 202.34 | C12H26O2 | OCCCCCCCCCCCCO |
|
AD03164 | -1.29 | 1217.45 | C53H70O11N17S3 | Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)CC(=O)Nc3ccc4ccccc4c3)cs2)cs1)C(C)O)C(O)c1c[nH]cn1 |
|
AD03165 | 1.23 | 178.25 | C7H14O3S | COCCCSCCC(=O)O |
|
AD03166 | 0.58 | 164.23 | C6H12O3S | O=C(O)CCSCCCO |
|
AD03167 | -2.89 | 2215.79 | C107H132O30N21Cl | CCCC=CC=CC(=O)NC(CC(N)=O)C(=O)NC1C(=O)NC(c2ccc(O)cc2)C(=O)NC(CCCN)C(=O)NC(C(C)O)C(=O)NC(c2ccc(O)cc2)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCN)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(c2ccc(O)cc2)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(c2ccc(O)c(Cl)c2)C(=O)OC1C(N)=O |
|
AD03168 | 2.02 | 246.35 | C13H26O4 | CCCCCCCCCC(=O)OCC(O)CO |
|
AD03169 | 3.54 | 538.43 | C22H28O8N4P2 | COP(=O)(O)OP(=O)(O)OCc1cn(CCCC(=O)NC(Cc2ccccc2)c2ccccc2)nn1 |
|
AD03170 | 1.26 | 253.33 | C11H15O2N3S | COc1ccc(C(C)=NNC(N)=S)cc1OC |