aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08291 | 4.01 | 318.46 | C20H30O3 | C=C1C2CCC3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1O |
|
AD08292 | 9.45 | 630.99 | C40H70O5 | CCCCCCCCCCCCCCCCCC(=O)OCC(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C |
|
AD08293 | 2.44 | 249.25 | C14H9ON4 | Nc1ncnc2c1C(c1cc3ccccc3o1)=C[N]2 |
|
AD08294 | 4.67 | 3361.57 | C101H127O57N41P10S7 | COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO |
|
AD08295 | 6.9 | 469.75 | C31H51O2N | CNC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2 |
|
AD08296 | 1.64 | 439.51 | C24H29O5N3 | CCOC(=O)c1cn(CC)c2ccc(C#CCN3CCN(CCC(=O)O)CC3)cc2c1=O |
|
AD08297 | -1.25 | 208.24 | C6H12O4N2S | COS(=O)(=O)NC(=O)C1CCCN1 |
|
AD08298 | 2.24 | 797.04 | C41H72O11N4 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)NCc2ccc(OC)cc2)C(C)C(O)C1(C)O |
|
AD08299 | 2.82 | 259.29 | C12H8N4FS | Fc1nc2c(c(SCc3ccccc3)n1)N=C[N]2 |
|
AD08300 | 0.72 | 189.01 | C5H5ON2Br | Nc1cc[nH]c(=O)c1Br |