aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03881 | 3.94 | 184.32 | C12H24O | C=CCCCCCCCCCOC |
|
AD03882 | -0.57 | 95.1 | CH3O3S | COS(=O)[O-] |
|
AD03883 | 0.76 | 182.17 | C7H12O3F2 | COC1CC(O)OC(C)C1(F)F |
|
AD03884 | 0.11 | 275.24 | C9H7O3N3F2S | CNS(=O)(=O)c1n[nH]c2cc(F)c(F)cc2c1=O |
|
AD03885 | 0.96 | 331.36 | C14H13O3N5S | O=S(=O)(Nc1ccccn1)c1ccc(-n2cc(CO)nn2)cc1 |
|
AD03886 | 0.2 | 187.24 | C8H17O2N3 | COC(=O)CCCCCNC(=N)N |
|
AD03887 | 0.11 | 173.22 | C7H15O2N3 | N=C(N)NCCCCCC(=O)O |
|
AD03888 | -2.04 | 2223.81 | C109H132O29N21Cl | CC(C)CC1NC(=O)CNC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CCCN)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)C)NC(=O)C(CCCN)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CNC(=O)C(CC(N)=O)NC(=O)Cc2ccccc2)C(C(N)=O)OC(=O)C(c2ccc(O)c(Cl)c2)NC(=O)C(C)NC1=O |
|
AD03889 | 1.46 | 226.06 | C7H6N4Br | CNc1ncnc2c1C(Br)=C[N]2 |
|
AD03890 | 1.99 | 302.24 | C15H10O7 | O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12 |