aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21241 | 1.5 | 233.27 | C12H15O2N3 | COCc1cn(CCOc2ccccc2)nn1 |
|
AD21242 | 0.85 | 219.24 | C11H13O2N3 | OCc1cn(CCOc2ccccc2)nn1 |
|
AD21243 | 1.1 | 109.13 | C6H7ON | Cc1ccc(O)cn1 |
|
AD21244 | 0.21 | 178.19 | C9H10O2N2 | CCCC#Cc1c[nH]c(=O)[nH]c1=O |
|
AD21245 | 1.28 | 466.43 | C20H27O7N4P | COP(=O)(O)NCCCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O |
|
AD21246 | 8.56 | 606.01 | C34H71O5NS | CCCCCCCCCCCCCCCCS(=O)(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC |
|
AD21247 | 0.5 | 1665.01 | C76H105O21N13S4 | NC(=O)C(CCCCNC(=O)C(CCC(=O)O)NC(=O)C(CCCCNC(=O)C(Cc1ccc(O)cc1)NC(=O)CCS)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CCS)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCNC(=O)C(Cc1ccc(O)cc1)NC(=O)CCS)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CCS |
|
AD21248 | 4.25 | 330.41 | C18H24O3N3 | CCOC(=O)CCCCCCCOc1cccc(C2=C[N]N=N2)c1 |
|
AD21249 | 0.59 | 174.19 | C8H8N5 | C=C(C)C1=N[N]c2ncnc(N)c21 |
|
AD21250 | 0.16 | 320.3 | C16H16O7 | O=C(OC1C2C=COC(O)C2C2(CO)OC12)c1ccc(O)cc1 |