aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23451 | 0.75 | 270.29 | C14H14O2N4 | Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(C)c2cc1C |
|
AD23452 | 0.13 | 178.19 | C9H10O2N2 | CCC#Cc1c(C)[nH]c(=O)[nH]c1=O |
|
AD23453 | 3.16 | 532.63 | C29H40O9 | CC(=CCO)CCC=C(C)C(=O)OC1C2OC2(C)C2C(O)OC=CC12OC(=O)C(C)=CCCC(C)=CCO |
|
AD23454 | 0.88 | 238.66 | C10H9ON5Cl | Clc1nc2c(c(N3CCOCC3)n1)N=C[N]2 |
|
AD23455 | 10.64 | 2544.11 | C126H108O36N18Cl4 | CC(C)CC(C(=O)NC1Cc2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C3NC(=O)C(CC(=O)O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC2=O)n1cc(COc2ccc(-c3ccc(OCc4cn(C(CC(C)C)C(=O)NC5Cc6ccc(c(Cl)c6)Oc6cc7cc(c6O)Oc6ccc(cc6Cl)C(O)C6NC(=O)C(NC(=O)C7NC(=O)C(CC(=O)O)NC5=O)c5ccc(O)c(c5)-c5c(O)cc(O)cc5C(C(=O)O)NC6=O)nn4)cc3)cc2)nn1 |
|
AD23456 | 9.23 | 624.75 | C37H54O2NBr | CC1(C)CCC2(C(=O)NCc3ccccc3Br)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD23457 | 0.97 | 255.22 | C11H7O2N6 | Nc1ncnc2c1C(c1ccc([N+](=O)[O-])cc1)=N[N]2 |
|
AD23458 | 0.87 | 283.32 | C14H21O5N | CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)NCCC |
|
AD23459 | 2.73 | 314.29 | C17H14O6 | COc1ccc(C=C2Oc3c(OC)c(O)cc(O)c3C2=O)cc1 |
|
AD23460 | 2.32 | 272.34 | C17H20O3 | Cc1ccccc1Cc1ccc(OCC(O)CO)cc1 |