aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44641 | 0.45 | 586.61 | C30H36O11N | CCC1(O)CC(OC2CC([NH+](C)C)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC |
|
AD44642 | 2.83 | 255.75 | C11H6ONClS2 | O=C1NC(=S)SC1=Cc1ccc(Cl)cc1 |
|
AD44643 | 3.0 | 306.23 | C8H4ONS3Br | O=C1NC(=S)SC1=Cc1ccc(Br)s1 |
|
AD44644 | 3.01 | 303.1 | C14H8O5Cl2 | CCC1=C(O)C(=O)c2c(O)c(Cl)c(Cl)c(O)c2C1=O |
|
AD44645 | 3.48 | 249.35 | C15H23O2N | CCCCCCCCNC(=O)c1ccccc1O |
|
AD44646 | 2.96 | 443.58 | C26H37O5N | C=CCN=CC12CCC(O)CC1(O)CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O |
|
AD44647 | 2.8 | 359.45 | C18H21O3N3S | CCOc1ccc(CNC(=S)NN=Cc2ccc(O)c(OC)c2)cc1 |
|
AD44648 | 3.24 | 388.5 | C23H32O5 | CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C |
|
AD44649 | 3.44 | 332.36 | C20H16O3N2 | O=C1C(=NO)c2ccccc2N1CCOc1ccc2ccccc2c1 |
|
AD44650 | -0.73 | 123.12 | C4H5N5 | Cn1nnc(C#N)c1N |