aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14681 | -4.25 | 1300.59 | C55H89O12N21S2 | Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCNC(=O)C(CCCCN)NC(=O)C(N)C(C)C)cs2)cs1)C(C)O)C(O)c1c[nH]cn1 |
|
AD14682 | 5.79 | 1159.2 | C58H70O21N4 | CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)N(C)CCN(C)C(=O)OCc3ccc(O)c([N+](=O)[O-])c3)C(NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C |
|
AD14683 | 11.21 | 742.98 | C36H72O9P2S | CCCCCCCCCCCCCCCCSCC(COP(=O)([O-])OP(=O)([O-])OC)OC(=O)CCCCCCCCCCCCCCC |
|
AD14684 | 4.08 | 494.46 | C27H18O6N4 | O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1cccc(O)c1 |
|
AD14685 | -0.58 | 113.12 | C5H7O2N | N#CC(=CCO)CO |
|
AD14686 | 0.38 | 262.31 | C14H18O3N2 | NC1CCC(OC(=O)Cc2ccccc2)CNC1=O |
|
AD14687 | 0.42 | 656.76 | C32H45O6N8F | NC1CC(NCc2cn(CCCCCCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)nn2)C(O)C(O)C1O |
|
AD14688 | 2.54 | 178.26 | C9H10N2S | Cc1[nH]c(=S)c(C#N)c(C)c1C |
|
AD14689 | 5.33 | 418.66 | C27H46O3 | CC(CO)CCCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C |
|
AD14690 | 3.91 | 255.29 | C16H14ONF | Cc1ccc(Cc2c[nH]c3cccc(O)c23)cc1F |