aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21081 | 1.87 | 246.26 | C14H14O4 | CC1(C)Oc2ccc3ccc(=O)oc3c2CC1O |
|
AD21082 | -0.29 | 135.13 | C5H5N5 | Nc1ncnc2ccnn12 |
|
AD21083 | 1.47 | 646.52 | C22H33O13N2FP2S | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccccc1F)C(=O)O |
|
AD21084 | 3.39 | 352.62 | C14H11N5ClBr | Cn1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc21 |
|
AD21085 | 2.3 | 615.71 | C27H30O5N7FS2 | CNS(=O)(=O)c1ccc(CCn2cc(CN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)nn2)s1 |
|
AD21086 | 3.76 | 347.2 | C19H12O2N2Cl2 | O=C(NCc1ccc(Cl)cc1)c1c[nH]c2ccc(Cl)cc2c1=O |
|
AD21087 | -1.64 | 214.14 | C6H6O5N4 | O=c1[nH]c(=O)n2c(c1[N+](=O)[O-])NCC2O |
|
AD21088 | 4.7 | 350.21 | C18H13O2N3Cl2 | COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OC |
|
AD21089 | -0.13 | 234.27 | C8H8N7S | CSc1nc2c3c(n1)N(C)N=C(N)C3=N[N]2 |
|
AD21090 | 2.66 | 975.13 | C48H78O20 | CC=C(C)C(=O)OC1C2OC(C)C(OC3OC(C)C(OC(=O)C(C)=CC)C(OC4OC(C)C(O)C(OC(=O)CCCCCCCCCC(CCC)OC5OC(C)C(O)C(O)C5O2)C4O)C3O)C1O |