aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16851 | -2.09 | 801.68 | C26H37O16N5P2S2 | COCC1OC2C(n3cc(C)c(N)nc3=O)OC1(COP(O)(=S)OC1C3OC(COC)C1(CO)OC3n1ccc(=O)[nH]c1=O)C2OP(O)(=S)OC |
|
AD16852 | -2.98 | 1107.92 | C35H48O22N7P3S3 | COCC1OC2C(n3cc(C)c(N)nc3=O)OC1(COP(O)(=S)OC1C3OC(COC)C1(COP(O)(=S)OC1CC(n4cc(C)c(=O)[nH]c4=O)OC1COP(O)(O)=S)OC3n1ccc(=O)[nH]c1=O)C2O |
|
AD16853 | 2.12 | 483.32 | C16H16O2N6SI | Nc1nc(SCCNC(=O)CCc2ccc(O)c(I)c2)nc2c1N=C[N]2 |
|
AD16854 | 1.4 | 278.36 | C12H16ON5S | Nc1ncnc2c1C(SCC1(O)CCCCC1)=N[N]2 |
|
AD16855 | -1.0 | 164.15 | C6H6ON5 | Nc1ncnc2c1C(CO)=N[N]2 |
|
AD16856 | 1.28 | 211.22 | C10H13O4N | COc1cc(NC=O)cc(OC)c1OC |
|
AD16857 | -7.71 | 736.79 | C30H48O10N12 | Cc1cn(CC(=O)N(CCN)CC(=O)NCCN(CC(=O)NCCNC2C(O)C(N)CC(N)C2O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O |
|
AD16858 | 1.6 | 602.68 | C32H42O11 | CC(=O)OCC12CCC3C(CC=C4CC=CC(=O)C43C)C1(O)C(OC(C)=O)CC2(O)C(C)(O)C1CC(CO)=C(C)C(=O)O1 |
|
AD16859 | 0.33 | 217.23 | C11H11O2N3 | CNc1c(NCc2ccncc2)c(=O)c1=O |
|
AD16860 | 4.58 | 789.8 | C39H43O13N5 | COc1cc2c(cc1OCCCCCOc1cc3c(cc1OC)C(=O)N1CCCC1C(O)N3C(=O)OCc1ccc(O)c([N+](=O)[O-])c1)NC(=O)C1CCCN1C2=O |