aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06141 | -0.06 | 166.18 | C8H10O2N2 | O=c1[nH]c2c(c(=O)[nH]1)CCCC2 |
|
AD06142 | 4.99 | 534.59 | C28H26O7N2S | COC(=O)CCCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1 |
|
AD06143 | 4.01 | 424.41 | C23H20O8 | COc1cc2cc(COC(C)=O)c(C(=O)O)c(-c3ccc4c(c3)OCO4)c2cc1OC |
|
AD06144 | 2.91 | 290.76 | C13H9N5ClS | Nc1nc2c(c(SCc3ccccc3Cl)n1)N=C[N]2 |
|
AD06145 | 2.4 | 714.8 | C38H50O13 | O=C(OCC1CCC(CO)(CCO)C(O)C1)C(=Cc1ccc(O)cc1)C(=Cc1ccc(O)c(O)c1)C(=O)OCC1CCC(CO)(CCO)C(O)C1 |
|
AD06146 | 3.26 | 1029.08 | C46H48O14N10S2 | N=c1ccc2c(-c3ccc(C(=O)NCCCCCCn4cc(CCNC(=O)COc5ccc(CCCON=c6cc[nH]c(=O)[nH]6)cc5)nn4)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)O)c3oc-2c1S(=O)(=O)O |
|
AD06147 | 1.46 | 219.2 | C11H9O4N | CC(=O)Nc1coc2cc(O)ccc2c1=O |
|
AD06148 | 1.39 | 189.22 | C10H11ON3 | Cn1cc(COc2ccccc2)nn1 |
|
AD06149 | -0.47 | 347.2 | C9H19O9NP2 | COP(=O)(O)OC(C1CC(O)C(NC(C)=O)C1)P(=O)(O)O |
|
AD06150 | 1.21 | 226.27 | C12H18O4 | OCCCOc1cccc(OCCCO)c1 |