aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15391 | 0.74 | 449.33 | C17H25O9NP2 | COP(=O)([O-])OC(C1CC(CNC(C)=O)C(OCc2ccccc2)C1)P(=O)([O-])O |
|
AD15392 | 3.12 | 252.38 | C13H20ON2S | CCc1cccc(NC(=O)NCCCSC)c1 |
|
AD15393 | 1.24 | 581.63 | C28H35O7N7 | CC(NC(=O)CO)C(=O)NC(CCC(=O)NCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O |
|
AD15394 | -2.8 | 1636.75 | C78H97O21N19 | Cc1c(C(=O)NCCC(=O)NCCCCC(NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2cnc[nH]2)NC(=O)C2CCC(=O)N2)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N2CCCC2C(=O)NCC(N)=O)c(O)cc2c1C(=O)c1c(O)cc(O)c(O)c1C2=O |
|
AD15395 | 1.41 | 256.25 | C12H10O2N5 | Oc1ccc(CNc2ncnc3c2N=C[N]3)cc1O |
|
AD15396 | 0.74 | 218.21 | C11H10O3N2 | COc1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1 |
|
AD15397 | 4.14 | 1723.41 | C50H68O30N14P6S6 | COP(=O)(S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(S)OC1CC(n2ccc(N)nc2=O)OC1COP(=O)(S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(S)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)S |
|
AD15398 | 4.9 | 435.65 | C26H45O4N | CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)c1ccc(C)cc1 |
|
AD15399 | 3.93 | 331.84 | C20H22O2NCl | CCOc1ccc(Cc2ccc(OCC3CNC3)cc2Cl)cc1 |
|
AD15400 | 1.94 | 187.04 | C7H7OBr | OCc1ccccc1Br |