aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14501 | 1.02 | 228.21 | C11H8O2N4 | N#Cc1cnn(-c2ccc(C(=O)O)cc2)c1N |
|
AD14502 | 4.03 | 293.32 | C18H15O3N | O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 |
|
AD14503 | 3.01 | 291.74 | C13H8ON4ClS | Oc1ncnc2c1N=C(SCc1ccc(Cl)cc1)[N]2 |
|
AD14504 | 3.41 | 340.7 | C12H18O6N2PCl | COP(=O)(OCc1ccc([N+](=O)[O-])o1)N(C)CCCCCl |
|
AD14505 | 3.5 | 336.52 | C21H36O3 | CC12CCC(O)CC1CCC1C2CCC2(C)C(CCO)CCC12O |
|
AD14506 | -0.96 | 133.15 | C5H11O3N | CNC(C(=O)O)C(C)O |
|
AD14507 | 1.24 | 592.54 | C20H38O12N2P2S | CCCC=CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC |
|
AD14508 | 1.05 | 117.15 | C5H11O2N | CCC(C)NC(=O)O |
|
AD14509 | 0.78 | 600.3 | C18H23O15N2P3 | COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C2OC(Cc3ccccc3)OC12 |
|
AD14510 | -2.71 | 748.88 | C34H56O9N10 | CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(N)CC(N)=O)C(C)O)C(C)C)C(=O)O |