aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16061 | 5.32 | 464.68 | C26H30ON3S2 | CSCCNC(=O)CCCC[n+]1ccc(C=C2Sc3ccccc3N2C)c2ccccc21 |
|
AD16062 | 2.81 | 378.33 | C4H13O6P3S4 | COP(=S)(S)OCP(=O)(O)COP(=S)(S)OC |
|
AD16063 | 5.21 | 300.83 | C20H21OCl | CCOc1ccc(Cc2ccc3c(c2Cl)CCCC3)cc1 |
|
AD16064 | 1.91 | 253.29 | C13H13N6 | C1=Nc2c(ncnc2NCCNc2ccccc2)[N]1 |
|
AD16065 | 2.2 | 253.29 | C13H13N6 | CN(C)c1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD16066 | 0.69 | 167.21 | C8H13ON3 | CCCCc1c[nH]c(=O)nc1N |
|
AD16067 | 1.44 | 275.35 | C15H21O2N3 | CN(CCc1cccc2[nH]ccc12)CCC(N)C(=O)O |
|
AD16068 | 1.11 | 198.17 | C9H10O5 | COc1cc(C(=O)O)cc(OC)c1O |
|
AD16069 | 7.27 | 1687.83 | C92H94O20N12 | O=C(CO)NCOCCOCCNC(=O)c1ccc(-c2c3nc(c(-c4ccc(C(=O)NCCOCCOCNC(=O)CO)cc4)c4[nH]c(c(-c5ccc(C(=O)NCCOCCOCNC(=O)CO)cc5)c5nc(c(-c6ccc(C(=O)NCCOCCOCNC(=O)CO)cc6)c6[nH]c2c2ccccc62)-c2ccccc2-5)c2ccccc42)-c2ccccc2-3)cc1 |
|
AD16070 | 0.11 | 83.09 | C3H5N3 | Cc1nc[nH]n1 |