aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14691 | 1.47 | 310.34 | C16H16O2N5 | O=c1nc(NCCCCc2ccccc2)[nH]c(=O)c2c1N=C[N]2 |
|
AD14692 | 1.42 | 213.21 | C13H9O3 | O=C([O-])c1ccc(-c2cccc(O)c2)cc1 |
|
AD14693 | -0.24 | 207.22 | C8H11ON6 | Nc1nc2c(c(NCCCO)n1)N=C[N]2 |
|
AD14694 | 5.7 | 479.56 | C28H27O2N6 | COc1cc(OC)cc(C(CNc2nc(Nc3ccccc3)nc3c2N=C[N]3)c2ccccc2C)c1 |
|
AD14695 | 2.24 | 238.09 | C9H8N3Br | Cn1cc(-c2ccc(Br)cc2)nn1 |
|
AD14696 | 3.2 | 358.35 | C19H18O7 | COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1 |
|
AD14697 | 5.51 | 335.88 | C17H14ONClS2 | CCOc1ccc(Cc2ncc(-c3cccs3)s2)c(Cl)c1 |
|
AD14698 | 4.67 | 646.91 | C37H62O7N2 | CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)CCC(=O)NCC(=O)NC(CO)(CO)CO)CCC4(C)C3CCC12C |
|
AD14699 | 1.8 | 327.34 | C18H17O5N | CC(N=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21)C(=O)O |
|
AD14700 | 1.18 | 366.37 | C18H22O8 | COc1cc(C(=O)OC2CC(C)(O)C3C(O)OC=CC23)cc(OC)c1O |