aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD09631 | 1.5 | 194.19 | C10H10O4 | COc1ccc(O)c(C=CC(=O)O)c1 |
|
AD09632 | 1.96 | 215.3 | C14H17ON | OCCNCCc1ccc2ccccc2c1 |
|
AD09633 | 0.64 | 437.45 | C23H23O6N3 | O=C(NCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1)c1ccc(-c2ccccc2)cc1 |
|
AD09634 | 1.95 | 404.42 | C20H24O7N2 | O=C(O)CCOCCOCCNc1ccc2c(c1)c(=O)c(C(=O)O)cn2C1CC1 |
|
AD09635 | 1.96 | 424.28 | C15H22O10P2 | COc1c(C)c2c(c(O)c1CCOP(=O)(O)CCP(=O)(O)OC)C(=O)OC2 |
|
AD09636 | -0.67 | 477.57 | C22H35O5N7 | CC(NC(=O)C(N)C(C)C)C(=O)NC(C(=O)N1CCCC1C(=O)Nc1cc[nH]c(=O)n1)C(C)C |
|
AD09637 | 1.73 | 180.25 | C9H16N4 | CCCCNc1cc(NC)ncn1 |
|
AD09638 | 1.79 | 219.23 | C13H7N4 | C(#Cc1ncnc2c1N=C[N]2)c1ccccc1 |
|
AD09639 | 3.92 | 298.41 | C17H24N5 | CCCCCCCCC#Cc1nc2c(c(NCC)n1)N=C[N]2 |
|
AD09640 | 0.82 | 241.26 | C10H5N6S | Nc1nc(C#Cc2nccs2)nc2c1N=C[N]2 |