aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD10801 | -4.92 | 882.13 | C37H75O6N19 | NCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)CCCCCNC=O |
|
AD10802 | 8.02 | 824.99 | C50H48O4N8 | CC(N)C(=O)Nc1ccc(C2c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(NC(=O)C(C)N)cc3)c3ccc2[nH]3)cc1 |
|
AD10803 | -0.16 | 139.16 | C6H9ON3 | CN(C)c1cn[nH]c(=O)c1 |
|
AD10804 | -3.82 | 254.17 | C6H6O9S | O=C([O-])C1=CC(O)C(OS(=O)(=O)[O-])C(O)O1 |
|
AD10805 | 6.65 | 684.0 | C41H67O6N2 | CCCCCCC[N+]1(CCCC)CCN(CC(=O)OC2CCCC(CC)OC(=O)CC3C(=CC4C3C=CC3CC(O)CC34)C(=O)C2C)CC1 |
|
AD10806 | 2.56 | 254.24 | C15H10O4 | O=C1Oc2cc(O)ccc2C1=Cc1ccc(O)cc1 |
|
AD10807 | 1.74 | 297.35 | C14H17N8 | CNc1nc(-n2cc(CC3CCCC3)nn2)nc2c1N=C[N]2 |
|
AD10808 | -1.75 | 430.43 | C18H22O5N8 | CC(=O)NC1C(O)C(O)C(CO)OC1n1cc(-c2cccc(-c3cn(C)nn3)n2)nn1 |
|
AD10809 | 9.37 | 1771.67 | C85H103O16N11Cl6S3 | CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)CCC(CCC(=O)NCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)(CCC(=O)NCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)NC(=O)N(C)C)c2)C1 |
|
AD10810 | -0.09 | 112.09 | CH5O2PS | CP(O)(O)=S |