aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08621 | 2.35 | 252.3 | C14H14N5 | Cc1ccc(CCNc2ncnc3c2N=C[N]3)cc1 |
|
AD08622 | 5.17 | 838.95 | C44H58O14N2 | COC(=O)NC1C(C)OC(OC2CC=C(C)C3(C)C=CC4C(O)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=O)=CC(OC(C)=O)C4C=C2C)C3=O)CC1(C)[N+](=O)[O-] |
|
AD08623 | 3.2 | 663.62 | C26H39O11N3P2S | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC=CC(=O)CCCc1c[nH]c2ccccc12 |
|
AD08624 | -2.13 | 994.22 | C39H80O9N17PS | COP(O)(=S)OCCCC(=O)NC(CCCCNC(=N)N)C(=O)NC(CCCCNC(=N)N)C(=O)NC(CCCCNC(=N)N)C(=O)NC(CCCCNC(=N)N)C(=O)NCCCCCCO |
|
AD08625 | 2.73 | 300.37 | C14H14ON5S | COc1ccc(CNc2nc(SC)nc3c2N=C[N]3)cc1 |
|
AD08626 | -2.1 | 728.59 | C23H30O15N4P2S2 | COP(O)(=S)OC1C2OCC1(COP(O)(=S)OC1C3OCC1(CO)OC3n1cc(C)c(=O)[nH]c1=O)OC2n1cc(C)c(=O)[nH]c1=O |
|
AD08627 | -1.82 | 727.6 | C23H31O14N5P2S2 | COP(O)(=S)OC1C2OCC1(COP(O)(=S)OC1C3OCC1(CO)OC3n1cc(C)c(=O)[nH]c1=O)OC2n1cc(C)c(N)nc1=O |
|
AD08628 | -2.7 | 1033.84 | C32H42O20N7P3S3 | Cc1cn(C2OC3(COP(O)(=S)OC4C5OCC4(COP(O)(=S)OC4CC(n6cc(C)c(=O)[nH]c6=O)OC4COP(O)(O)=S)OC5n4cc(C)c(=O)[nH]c4=O)COC2C3O)c(=O)nc1N |
|
AD08629 | 2.32 | 208.32 | C9H20O3S | CCCCCCCCS(=O)(=O)OC |
|
AD08630 | 0.82 | 454.47 | C22H30O10 | COC(=O)C1=COC(O)C2C(C)OC(OC3CC4C(C(=O)OC)=COC(O)C4C3C)CC12 |