aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22711 | 2.86 | 429.48 | C23H23O2N7 | CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(O)ccn5)n4)ccc3[nH]2)CC1 |
|
AD22712 | 3.12 | 248.71 | C14H13ON2Cl | CCOc1ncc(Cc2ccccc2Cl)cn1 |
|
AD22713 | 1.4 | 546.41 | C20H28O10N4P2 | COP(=O)(O)OP(=O)(O)NCCCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O |
|
AD22714 | 1.2 | 228.21 | C11H7N5F | Nc1ncnc2c1C(c1ccc(F)cc1)=N[N]2 |
|
AD22715 | 2.73 | 312.66 | C13H6N5F3Cl | Nc1ncnc2c1C(c1ccc(Cl)c(C(F)(F)F)c1)=N[N]2 |
|
AD22716 | 1.2 | 178.14 | C9H6O4 | O=c1ccoc2cc(O)cc(O)c12 |
|
AD22717 | 5.86 | 567.76 | C33H43ON8 | CC(C)(C)N(CCNC(=O)NCc1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2)C1CCCCC1 |
|
AD22718 | 3.98 | 422.39 | C22H18O7N2 | O=C(CCc1ccc(O)c(N=Cc2ccc([N+](=O)[O-])cc2)c1)c1c(O)cc(O)cc1O |
|
AD22719 | 6.14 | 578.83 | C34H58O7 | CCC(=O)C(C)C(O)C(C)CC(C)C1OC(=O)CC2(O)CCC(C)C(O2)C(C)=CCCCC(O)C=CC(C)CC1C |
|
AD22720 | 5.2 | 852.96 | C45H48O6N12 | O=C(CCCn1cc(CO)nn1)Nc1cccc(-c2cc(-c3cccc(NC(=O)CCCn4cc(CO)nn4)c3)cc(-c3cccc(NC(=O)CCCn4cc(CO)nn4)c3)c2)c1 |