aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD07621 | 1.37 | 189.16 | C6H5N8 | CNc1nc(N=[N+]=[N-])nc2c1N=C[N]2 |
|
AD07622 | 0.47 | 155.2 | C8H13O2N | C=CC(=O)NCC1CCCO1 |
|
AD07623 | -1.34 | 102.05 | C2H2O3N2 | O=c1[nH]oc(=O)[nH]1 |
|
AD07624 | 1.41 | 428.39 | C22H20O9 | CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O |
|
AD07625 | 4.05 | 572.79 | C33H52O6N2 | CC1(C)CCC2(C(=O)NCC(=O)NCC(=O)O)CCC3C(=CCC4C3(C)CCC3C(C)(CO)C(O)CCC34C)C2C1 |
|
AD07626 | -0.63 | 413.86 | C16H28O8N3Cl | CCOCCN(C(=O)N(CCCl)N=O)C1OC(CO)C(COC)C(O)C1O |
|
AD07627 | 3.51 | 542.74 | C28H46O8S | CC(C)C(C)C(O)C1OC2CC3C4CC(O)C5CC(OS(=O)(=O)O)CCC5(C)C4=CCC3(C)C2C1(C)O |
|
AD07628 | 1.12 | 283.29 | C14H13O2N5 | Nc1nc(O)c2c(n1)[nH]c(=O)n2CC=Cc1ccccc1 |
|
AD07629 | 3.04 | 250.2 | C13H8O3F2 | O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O |
|
AD07630 | -10.19 | 2186.56 | C97H160O24N34 | CCC(C)C(NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(CO)NC(=O)CN(CCO)C(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)CN)C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)O)C(C)C |