aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20061 | 0.2 | 228.2 | C10H12O6 | C=CC1C(O)OC=C(C(=O)O)C1CC(=O)O |
|
AD20062 | 3.35 | 296.33 | C17H16O3N2 | CCn1ncc(-c2ccc(O)cc2)c1-c1ccc(O)cc1O |
|
AD20063 | 3.02 | 416.43 | C22H24O8 | CCCCOC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1 |
|
AD20064 | -3.39 | 387.44 | C15H29O5N7 | CNC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)NC(C(N)=O)C(C)O |
|
AD20065 | 1.2 | 233.33 | C10H19O3NS | CSCCC(NC(C)=O)C(=O)OC(C)C |
|
AD20066 | 3.19 | 288.33 | C17H14N5 | C1=Nc2c(ncnc2NCCc2ccc3ccccc3c2)[N]1 |
|
AD20067 | 1.5 | 293.33 | C17H15O2N3 | C#CCCC#Cc1cccc(CON=c2cc[nH]c(=O)[nH]2)c1 |
|
AD20068 | 2.14 | 301.31 | C12H9O2N6S | Nc1ncnc2c1N=C(SCc1cccc([N+](=O)[O-])c1)[N]2 |
|
AD20069 | 4.99 | 753.93 | C42H59O11N | COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C)C(CO)=CC4C=C2C)OC3=O)CC1(C)O |
|
AD20070 | -0.86 | 132.16 | C5H12O2N2 | CC(N)CC(N)C(=O)O |