aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD19801 | 1.73 | 303.75 | C16H14O2N3Cl | O=c1n(Cc2ccccc2Cl)nc2ccc(CCO)cn12 |
|
AD19802 | 2.91 | 234.28 | C12H10O3S | COC(=O)c1ccc(-c2ccc(O)cc2)s1 |
|
AD19803 | 11.99 | 771.03 | C38H76O9P2S | CCCCCCCCCCCCCCCCCC(=O)OC(COP(=O)([O-])OP(=O)([O-])OC)CSCCCCCCCCCCCCCCCC |
|
AD19804 | -0.83 | 174.11 | C2H7O5PS | CS(=O)(=O)CP(=O)(O)O |
|
AD19805 | -1.07 | 140.12 | C5H6O2N3 | COC1=NC(=O)C=C(N)[N]1 |
|
AD19806 | 3.27 | 509.48 | C27H19O6N5 | O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccncc1CO |
|
AD19807 | 3.87 | 508.49 | C28H20O6N4 | O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccccc1CO |
|
AD19808 | 2.06 | 184.62 | C10H9O2Cl | COC(=O)Cc1cccc(Cl)c1 |
|
AD19809 | 2.64 | 486.69 | C23H26O2N4S3 | CSCCNC(=S)NCCCNC(=S)NCc1ccc2c(c1)C(=O)c1ccccc1C2=O |
|
AD19810 | 3.21 | 372.42 | C21H24O6 | COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O |