aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22281 | 4.36 | 398.26 | C20H16O3NBr | CC1(C)c2ccccc2C(=O)c2c1n(CC(=O)O)c1cc(Br)ccc21 |
|
AD22282 | 2.38 | 356.33 | C19H16O7 | COc1cc(C2Oc3ccc4ccc(=O)oc4c3OC2CO)ccc1O |
|
AD22283 | 3.9 | 276.77 | C16H17ON2Cl | CCCCOc1ncc(Cc2ccccc2Cl)cn1 |
|
AD22284 | 6.11 | 808.92 | C44H56O14 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)c6cc(O)c(O)c(O)c6)C(CO)(COC(=O)c6cc(O)c(O)c(O)c6)C5CCC43C)C2C1 |
|
AD22285 | 5.43 | 636.77 | C35H50O8F2 | CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(OC)C(C)=CC(C(=O)O3)C45O)O2)CC(F)(F)C1C |
|
AD22286 | 0.81 | 211.22 | C10H13O4N | COc1cc(C(N)=O)cc(OC)c1OC |
|
AD22287 | 4.17 | 622.43 | C30H26O8N3FCl2 | CCc1c(Cl)c(OCC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)c(Cl)c(O)c1C(=O)O |
|
AD22288 | -4.35 | 1237.36 | C54H92O24N8 | COC(=O)c1cc(OCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)NCCCO)cc(OCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)NCCCO)c1 |
|
AD22289 | 2.81 | 449.49 | C23H25O4N6 | CCOC(=O)C1=C(C)Oc2nc(C)n(CC3=C[N]N=N3)c(=O)c2C1c1ccc(N(C)C)cc1 |
|
AD22290 | 2.45 | 202.22 | C8H4N5S | c1csc(-c2ncnc3c2N=N[N]3)c1 |