aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD18741 | 2.19 | 230.27 | C11H8ON3S | COc1ncnc2c1C(c1cccs1)=C[N]2 |
|
AD18742 | 4.34 | 475.37 | C26H24O4N2Cl2 | CC(Cl)=CC=CC=CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)NC(CC(N)=O)C1=O |
|
AD18743 | 0.34 | 176.17 | C7H12O5 | COC(C)(CC(=O)O)CC(=O)O |
|
AD18744 | 0.37 | 316.32 | C14H16O3N6 | COc1c(CO)cnc(Cn2cnc3c(O)nc(N)nc32)c1C |
|
AD18745 | 3.86 | 280.32 | C18H16O3 | C=CCc1ccc(O)c(-c2cc(C(=O)C=C)ccc2O)c1 |
|
AD18746 | 1.11 | 141.19 | C6H7ONS | CNC(=O)c1cccs1 |
|
AD18747 | 3.28 | 260.28 | C15H10N5 | C1=Nc2c(ncnc2Nc2cccc3ccccc23)[N]1 |
|
AD18748 | 2.88 | 2143.36 | C99H123O26N25S2 | C=C1CC(C2OCCN2C(=O)OCCSSCC(NC(=O)C(CCC(=O)NC)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)NC)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)NC)NC(=O)CCC(NC(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)C(=O)O)C(=O)O)N(C(=O)c2cc(OC)c(OCCCCCOc3ccc(-c4nc5ccc(-c6nc7cc(N8CCN(C)CC8)ccc7[nH]6)cc5[nH]4)cc3)cc2N)C1 |
|
AD18749 | 0.91 | 256.31 | C15H16O2N2 | O=C1NC(O)C(Cc2ccccc2)C2C=CNC=C12 |
|
AD18750 | 2.23 | 295.28 | C14H11O2N6 | CC(=O)c1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1 |