aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00311 | 0.6 | 267.24 | C11H13O5N3 | O=C(O)CCNCC(=O)Nc1ccc([N+](=O)[O-])cc1 |
|
AD00312 | 1.42 | 281.3 | C14H13ON6 | CNC(=O)Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD00313 | 2.07 | 346.39 | C15H16O3N5S | O=S(=O)(O)c1ccc(CCCCNc2ncnc3c2N=C[N]3)cc1 |
|
AD00314 | 1.45 | 461.44 | C16H24O7N5PS | CC(C)(C)C(=O)OCSP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)CC1O |
|
AD00315 | 1.93 | 312.36 | C16H24O6 | CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCC(C)C |
|
AD00316 | 5.11 | 320.44 | C18H12N2S2 | N#Cc1c2c(c(-c3cccs3)[nH]c1=S)CCc1ccccc1-2 |
|
AD00317 | -1.72 | 747.91 | C30H45O6N13S2 | CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1ccc(N)nc1=O)C(=O)Cn1cnc2c(N)ncnc21 |
|
AD00318 | 3.32 | 146.3 | C8H18S | CCCCCCCSC |
|
AD00319 | -4.94 | 1024.29 | C43H85O8N21 | N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCNC(=O)C(CCCCN)NC(=O)CCCCCNC=O)C(N)=O |
|
AD00320 | 6.36 | 670.93 | C40H62O8 | C=CC(C)(O)CCC=C(CO)C(=O)OC1CC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C |