aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23891 | -2.33 | 88.13 | C3H10N3 | CCNC(N)=[NH2+] |
|
AD23892 | 1.72 | 225.26 | C12H11N5 | c1ccc(-c2ncc(Cn3ccnn3)[nH]2)cc1 |
|
AD23893 | -1.39 | 420.41 | C18H28O11 | CC(C)C(=O)OC1C(O)OCC2OC3(OC21)OC(C)C(O)(C(C)O)C1OCOC13 |
|
AD23894 | 1.16 | 311.28 | C13H18O4N3P | CNC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)OC |
|
AD23895 | -1.1 | 165.16 | C6H7ON5 | C[N+]1=C[N]c2[nH]c(N)nc(=O)c21 |
|
AD23896 | -0.69 | 280.06 | C4H10O10P2 | COP(=O)(O)OP(=O)(O)OCC(O)C(=O)O |
|
AD23897 | -1.8 | 217.27 | C8H19O2N5 | CN(CCNC(=N)N)CCC(N)C(=O)O |
|
AD23898 | 3.58 | 448.57 | C25H32O2N6 | C=C=CCNCCCCN=CC=C(C)N1c2cc(C)c(C)cc2N(C)c2[nH]c(=O)[nH]c(=O)c21 |
|
AD23899 | 0.3 | 429.97 | C2H11O15P5 | COP(=O)(O)OP(=O)(O)CP(=O)(O)OP(=O)(O)OP(=O)(O)O |
|
AD23900 | -2.16 | 100.15 | C4H10N3 | C=CCNC(N)=[NH2+] |