aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12931 | 2.04 | 279.38 | C16H25O3N | CNCC1C(=O)OC2C1CCC(C)=CCCC1(C)OC21 |
|
AD12932 | 1.23 | 1250.46 | C61H91O17N11 | COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(Cc6cn(CCCCOC7C(O)C(N)CC(N)C7OC7OC(CN)C(O)CC7N)nn6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C |
|
AD12933 | -6.34 | 704.74 | C27H48O12N10 | NCCCCC(NC(=O)CCCO)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O |
|
AD12934 | 5.35 | 517.34 | C24H21O3NFI | O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(I)cc1 |
|
AD12935 | 1.95 | 250.28 | C14H12N5 | C1=Nc2c(ncnc2N2CCc3ccccc3C2)[N]1 |
|
AD12936 | 3.75 | 861.11 | C45H73O9N6F | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCCc2cn(CCn3ccc4cc(F)ccc43)nn2)C(C)C(O)C1(C)O |
|
AD12937 | 2.82 | 301.37 | C15H15O2N3S | CCCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1 |
|
AD12938 | 0.51 | 320.37 | C14H16O3N4S | O=C(O)CNCCNC(=O)CSc1cnc2ccccc2n1 |
|
AD12939 | 4.53 | 440.58 | C26H30N7 | C1=Nc2c(nc(NCCN3CCCCC3)nc2NCC(c2ccccc2)c2ccccc2)[N]1 |
|
AD12940 | 2.07 | 253.29 | C13H7ON3S | N#Cc1c(S)[nH]c(=O)c(C#N)c1-c1ccccc1 |