aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13131 | 3.79 | 349.75 | C15H21O5NPCl | CCCCOC(=O)C(C)NP(=O)(OC)Oc1ccccc1Cl |
|
AD13132 | 3.47 | 730.04 | C39H75O9N3 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C2C(C)C(OCN2C(C)CCCN(CC)CC)C1(C)O |
|
AD13133 | -0.79 | 2281.89 | C112H138O30N21Cl | CCCCOc1ccc(C(=O)NC(CC(N)=O)C(=O)NCC2C(=O)NC(c3ccc(O)cc3)C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(c3ccc(O)cc3)C(=O)NC(c3ccc(O)cc3)C(=O)NC(C(C)O)C(=O)NC(Cc3ccccc3)C(=O)NC(CCCN)C(=O)NC(c3ccc(O)cc3)C(=O)NC(C(C)O)C(=O)NC(c3ccc(O)cc3)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(c3ccc(O)c(Cl)c3)C(=O)OC2C(N)=O)cc1 |
|
AD13134 | 3.29 | 436.38 | C20H16O6N6 | O=C(Nc1nc(OCc2ccccc2)c2[nH]cnc2n1)OCc1ccc(O)c([N+](=O)[O-])c1 |
|
AD13135 | 1.81 | 271.35 | C14H19N6 | CN1C2CCCC1CC(Nc1ncnc3c1N=C[N]3)C2 |
|
AD13136 | 0.02 | 217.26 | C10H19O4N | CCC(=O)NC1C(C)OC(O)CC1OC |
|
AD13137 | 0.43 | 160.56 | C6H5O2N2Cl | COc1cn[nH]c(=O)c1Cl |
|
AD13138 | 1.37 | 281.7 | C14H12O4NCl | CNC(=O)COC1=C(c2ccc(Cl)cc2)C(=O)OC1 |
|
AD13139 | 1.37 | 214.25 | C11H12N5 | CC(C)(C)C#Cc1nc(N)c2c(n1)[N]C=N2 |
|
AD13140 | 2.87 | 313.35 | C18H19O4N | Cc1cc(N)c(C(=O)CCc2ccc3c(c2)OCCO3)c(O)c1 |