aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08811 | 3.94 | 329.52 | C19H39O3N | CCCCCCCCCCCCCCCCNC(=O)C(O)CO |
|
AD08812 | 4.45 | 350.41 | C22H22O4 | CC1(C)c2ccccc2C(=O)c2c1oc1cc(OCCCCO)ccc21 |
|
AD08813 | 2.42 | 280.28 | C16H12O3N2 | NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O |
|
AD08814 | -1.24 | 174.24 | C8H18O2N2 | CN1CCC(N)C(O)CC1CO |
|
AD08815 | 2.78 | 437.5 | C24H27O5N3 | CC(=O)NC(CCC(=O)O)C(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12 |
|
AD08816 | 2.43 | 405.43 | C20H24O5N3F | O=C(O)CCNCCCCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 |
|
AD08817 | -8.19 | 1603.75 | C70H110O25N18 | CCC(C)C(NCC(=O)O)C(=O)NC(C)C(=O)NC(C)C=CCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(O)CN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(C(=O)O)C(C)O |
|
AD08818 | 1.61 | 259.29 | C12H9O2N3S | COc1ccc(-c2nc(S)[nH]c(=O)c2C#N)cc1 |
|
AD08819 | -2.18 | 105.09 | C3H7O3N | NC(=O)C(O)CO |
|
AD08820 | 7.39 | 432.69 | C28H48O3 | CCCCCCCCCCC(C)C(O)C(C)C=C(C)C=C(C)C(=O)C(C)C=C(C)C=O |