aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23811 | 0.21 | 361.35 | C13H17O3N10 | NC(COCC1=C[N]N=N1)(COCC1=C[N]N=N1)COCC1=C[N]N=N1 |
|
AD23812 | -2.81 | 522.58 | C16H35O9N4PS2 | CNS(=O)(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)O)C(N)CO |
|
AD23813 | -2.92 | 572.14 | C11H16O17N2P4 | COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O |
|
AD23814 | 3.01 | 789.01 | C41H72O14 | CC1C=CCC=CCCCCCCCCCC(O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O |
|
AD23815 | 1.29 | 258.17 | C10H11O6P | COP(=O)(O)OC(=O)C=CC1=CCC(=O)C=C1 |
|
AD23816 | 0.47 | 272.15 | C10H9O7P | COP(=O)(O)OC(=O)C=CC1=CC(=O)C(=O)C=C1 |
|
AD23817 | 1.26 | 288.19 | C11H13O7P | COC1=CC(C=CC(=O)OP(=O)(O)OC)=CCC1=O |
|
AD23818 | 0.91 | 239.25 | C10H9O4NS | NC(=O)OCC1=Cc2ccccc2S1(=O)=O |
|
AD23819 | 0.81 | 165.19 | C9H11O2N | NC(=O)CCc1ccc(O)cc1 |
|
AD23820 | 0.21 | 512.59 | C24H28O5N6S | O=C(COc1ccccc1)NC(Cc1cn(CCNC(=O)c2ccc(S)cc2)nn1)C(=O)NCCO |