aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00681 | 1.15 | 154.19 | C6H6ON2S | ON=C(S)c1ccncc1 |
|
AD00682 | 4.78 | 1253.72 | C65H65O17N8Cl | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(C=CCCCc4ccccc4)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD00683 | 3.31 | 331.39 | C19H22O3NF | COc1cc(OCC2CNCCC2c2ccc(F)cc2)ccc1O |
|
AD00684 | 1.27 | 272.39 | C14H28O3N2 | CCC(C)C(NCCC1OCC(C)(C)CO1)C(N)=O |
|
AD00685 | 1.81 | 176.17 | C10H8O3 | Cc1cc(=O)oc2cc(O)ccc12 |
|
AD00686 | 0.39 | 356.37 | C16H18O3N7 | O=CNc1cc(C(O)CNCCNc2ncnc3c2N=C[N]3)ccc1O |
|
AD00687 | 2.87 | 268.35 | C15H24O4 | CC1CCC2C(C)COC3OC4(C)CCC1C32OO4 |
|
AD00688 | -1.47 | 411.26 | C9H19O11NP2S | COP(=O)(O)OP(=O)(O)OC1SC(CO)C(O)C(O)C1NC(C)=O |
|
AD00689 | -2.53 | 420.43 | C18H24O6N6 | CC(=O)NC1C(NC(=O)c2cccc(Cc3cn(C)nn3)n2)OC(CO)C(O)C1O |
|
AD00690 | 2.28 | 286.24 | C15H10O6 | O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12 |