aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD07691 | 1.52 | 132.11 | C5H6N2F2 | CC(F)(F)c1ncc[nH]1 |
|
AD07692 | 2.35 | 392.41 | C22H20O5N2 | CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC |
|
AD07693 | 3.22 | 327.69 | C15H9ON3F3Cl | O=c1n(Cc2ccccc2Cl)nc2ccc(C(F)(F)F)cn12 |
|
AD07694 | 2.33 | 376.49 | C22H32O5 | CC12CCC3C(CCC4CC(O)CCC43O)C1(O)CCC2C1=CC(=O)OC1 |
|
AD07695 | 0.5 | 402.4 | C20H22O7N2 | O=C1C2CCC3C(=NO)CC(O)C(O)C3C2C(=O)N1Cc1ccc2c(c1)OCO2 |
|
AD07696 | -0.66 | 2048.41 | C66H92O44N15P7S | COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(CCn2cnc3c(CCSC)nc(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)O |
|
AD07697 | -1.33 | 1024.61 | C31H44O25N6P4 | COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)O |
|
AD07698 | -1.28 | 402.19 | C10H16O11N2P2 | Cc1cn(C2CC(OP(=O)(O)O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O |
|
AD07699 | 3.59 | 286.33 | C17H18O4 | COc1ccc(C=Cc2cc(OC)cc(OC)c2O)cc1 |
|
AD07700 | 3.15 | 1012.28 | C53H87O13N3F2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)C2(O)C(C)CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC32C)C(C)C(O)C1(C)O |