aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD18691 | 4.83 | 1323.03 | C66H49O21N7Cl2 | COC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(Nc2c(OC)c(=O)c2=O)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD18692 | -1.16 | 189.17 | C7H11O5N | COC(=O)CC(NC=O)C(=O)OC |
|
AD18693 | 1.08 | 796.95 | C41H64O15 | CC1OC(=O)CC(O)CC(O)CC(O)CCC(O)C(O)CC(=O)CC(O)C(C(=O)O)C(O)CC(O)C=CC=CC=CC=CCCC=CC=CC(C)(O)C(O)C1C |
|
AD18694 | 3.06 | 274.35 | C13H14ON4S | O=C(Nc1nncs1)Nc1cccc2c1CCCC2 |
|
AD18695 | 8.44 | 754.89 | C47H42O4N6 | CC(N)C(=O)Nc1ccccc1C1c2ccc([nH]2)C(c2ccc(O)cc2)c2ccc([nH]2)C(c2ccc(O)cc2)c2ccc([nH]2)C(c2ccc(O)cc2)c2ccc1[nH]2 |
|
AD18696 | 2.94 | 469.14 | C10H13O9N3F3P3 | COP(=O)(O)OP(=O)(O)OP(=O)(O)NCc1ccc(C2(C(F)(F)F)N=N2)cc1 |
|
AD18697 | 0.16 | 181.17 | C8H9O3N2 | CC(=O)Nc1c[nH+]cc(C(=O)O)c1 |
|
AD18698 | 4.74 | 413.41 | C22H24O5NP | COP(=O)(NC(C)C(=O)OCCc1ccccc1)Oc1cccc2ccccc12 |
|
AD18699 | 2.44 | 271.32 | C16H17O3N | CC(=O)NCCc1ccc(O)cc1-c1ccc(O)cc1 |
|
AD18700 | -0.09 | 527.11 | C8H13O14N5P4 | COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCc1cnc2nc(N)[nH]c(=O)c2n1 |