aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22311 | 7.55 | 513.76 | C32H51O4N | CC1OCC2(C)C(CCC3(C)C2CCC2(C)C3CC=C3C4CC(C)(C)CCC4(NC(=O)O)CCC32C)O1 |
|
AD22312 | 0.77 | 372.33 | C19H16O8 | O=C(O)C1=COC(O)C2C1C=CC21C=C(C(O)c2ccc(O)cc2)C(=O)O1 |
|
AD22313 | -0.35 | 256.26 | C10H16O4N4 | CC1(C)C2([N+](=O)[O-])CN3CN(C2)CC1([N+](=O)[O-])C3 |
|
AD22314 | 5.49 | 412.61 | C27H40O3 | Cc1c(CCC(C)CO)oc2c1C1(C)CCC3C(CC=C4CC(O)CCC43C)C1C2 |
|
AD22315 | -1.63 | 418.41 | C17H22O5N8 | CC(NC(=O)C(C)n1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)OCc1cn(C)nn1 |
|
AD22316 | 3.19 | 357.47 | C17H27O5NS | COS(=O)(=O)NC(=O)CCCCCCCCCOc1ccccc1 |
|
AD22317 | 4.22 | 318.46 | C20H30O3 | CC(C)c1cc2c(c(O)c1O)C1(C)CCC(O)C(C)(C)C1CC2 |
|
AD22318 | 2.86 | 290.29 | C10H11N5F3S | CCCSc1nc2c(c(NCC(F)(F)F)n1)N=C[N]2 |
|
AD22319 | 0.11 | 448.33 | C17H24O9NP2 | COP(=O)([O-])OC(C1CC(CNC(C)=O)C(OCc2ccccc2)C1)P(=O)([O-])[O-] |
|
AD22320 | 6.01 | 546.64 | C32H35O5N2F | CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cc2)C3)cc(OCC)c1-c1ccc(F)cc1 |