aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17731 | 2.08 | 212.19 | C11H6O2N3 | O=c1ccc2ccc(C3=C[N]N=N3)cc2o1 |
|
AD17732 | 3.23 | 446.45 | C23H26O9 | COc1cc(C2OCC3C(c4cc(OC)c(OC)c(OC)c4O)OCC23)cc2c1OCO2 |
|
AD17733 | 1.19 | 153.16 | C8H8ONF | CNC(=O)c1ccc(F)cc1 |
|
AD17734 | 3.73 | 290.36 | C17H22O4 | CCCC=CC=CCCc1cc(O)cc(O)c1C(=O)OC |
|
AD17735 | -2.6 | 415.33 | C14H26O11NP | COP(=O)(O)CCC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1 |
|
AD17736 | 6.25 | 3257.7 | C98H127O52N35P10S10 | COP(=O)(S)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(S)OC1CC(n2ccc(N)nc2=O)OC1COP(=O)(S)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(S)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=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)(S)OC1CC(n2ccc(N)nc2=O)OC1CO |
|
AD17737 | 2.29 | 1934.59 | C58H77O34N17P6S6 | Cc1cn(C2CC(O)C(COP(=O)(S)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(O)S)O2)c(=O)[nH]c1=O |
|
AD17738 | 3.49 | 210.32 | C13H22O2 | COC(=O)C=CCC(C)CCC=C(C)C |
|
AD17739 | 1.81 | 463.31 | C17H20N8I | Nc1nc(NCCN2CCN(c3ccc(I)cc3)CC2)nc2c1N=C[N]2 |
|
AD17740 | -0.65 | 146.19 | C6H14O2N2 | CN(C)CCC(N)C(=O)O |