aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20331 | 2.02 | 359.43 | C19H25O4N3 | CC1=CCCC2(C)OC2C2OC(=O)C(CNc3cc[nH]c(=O)n3)C2CC1 |
|
AD20332 | 0.5 | 285.31 | C14H15O2N5 | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1N(C)C |
|
AD20333 | 3.74 | 244.37 | C14H28O3 | CCCCCC(O)CCCCCCCC(=O)O |
|
AD20334 | -2.94 | 1433.07 | C67H102O20N13Cl | CC=C(NC(=O)CNC(=O)C(C)(O)C(O)C=CC(C)=CC(C)CC)C(=O)NC(C(=O)NC(C(=O)NC1C(=O)NC(COC)C(=O)NCC(=O)NC(C)C(=O)N(C)C(C(C)O)C(=O)NC(C(OC)c2ccc(O)cc2)C(=O)N2CCC(Cl)CC2C(=O)OC1C(C)C)C(C)C(C)C(N)=O)C(C)N |
|
AD20335 | 0.63 | 475.59 | C24H37O5N5 | CC(C)CC(NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)c1ccc(O)cc1)C(N)=O |
|
AD20336 | 2.07 | 331.42 | C17H25O2N5 | CN(C)Cc1ccc(-c2cn(CCCCCC(=O)NO)nn2)cc1 |
|
AD20337 | 6.27 | 750.99 | C43H58O4N8 | C=Cc1c(C)c2cc3nc(c(CC(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCCN(C)C)C(CCC(=O)NCCN(C)C)C3C |
|
AD20338 | 1.65 | 258.04 | C7H5N3I | Nc1ccnc2c1C(I)=C[N]2 |
|
AD20339 | 10.35 | 700.14 | C42H85O6N | CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)CCCCCCCCCCCCOCCCCCCCCCOCC |
|
AD20340 | 2.02 | 210.28 | C8H6ON2S2 | Nc1ncc(C(=O)c2cccs2)s1 |