aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04031 | 2.82 | 158.24 | C9H18O2 | CCCCCCCCC(=O)O |
|
AD04032 | 2.91 | 172.27 | C10H20O2 | CCCCCCCCC(=O)OC |
|
AD04033 | 2.36 | 235.27 | C14H11N4 | Nc1ncnc2c1C(C=Cc1ccccc1)=C[N]2 |
|
AD04034 | 1.29 | 199.19 | C10H7ON4 | Nc1ncnc2c1C(c1ccco1)=C[N]2 |
|
AD04035 | 1.76 | 215.26 | C10H7N4S | Nc1ncnc2c1C(c1cccs1)=C[N]2 |
|
AD04036 | 1.12 | 200.23 | C10H10N5 | CCCC#Cc1nc(N)c2c(n1)[N]C=N2 |
|
AD04037 | -0.28 | 402.23 | C11H20O10N2P2 | COP(=O)(O)OCC(C)(COP(=O)(O)O)Cn1cc(C)c(=O)[nH]c1=O |
|
AD04038 | -1.07 | 334.15 | C8H16O10P2 | COP(=O)(O)OP(=O)(O)CC1=CC(O)C(O)C(CO)O1 |
|
AD04039 | 3.16 | 222.29 | C15H14N2 | Cn1c(Cc2ccccc2)nc2ccccc21 |
|
AD04040 | 2.95 | 169.64 | C8H4NClS | Clc1ccc2ncsc2c1 |