aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04541 | -0.2 | 547.56 | C26H33O10N3 | COC(C(=O)N(CCN(C)C)C(=O)C(N)CCC(=O)O)C1Cc2cc3cc(O)cc(O)c3c(O)c2C(=O)C1O |
|
AD04542 | 0.95 | 842.69 | C24H37O17N4P3S3 | Cc1cn(C2CC(OCCC(O)COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)S)C(COP(=O)(O)S)O2)c(=O)[nH]c1=O |
|
AD04543 | -0.67 | 135.13 | C6H5ON3 | C#Cc1c[nH]c(=O)nc1N |
|
AD04544 | 2.62 | 400.35 | C21H12O5N4 | O=CNN1C(=O)c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C1=O |
|
AD04545 | 6.35 | 458.73 | C30H50O3 | CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1 |
|
AD04546 | 2.2 | 329.29 | C14H20O6NP | CCOC(=O)C1CCCN1P(=O)(O)Oc1ccc(OC)cc1 |
|
AD04547 | 3.6 | 315.38 | C20H17ON3 | CNC(=O)c1ccc2c(c1)ncn2Cc1cccc2ccccc12 |
|
AD04548 | 14.08 | 694.23 | C45H91O3N | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CC)C(O)C(O)CCCCCCCCCCCCCC |
|
AD04549 | 4.85 | 488.71 | C30H48O5 | CC1(CO)CCC23C(=O)OC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1 |
|
AD04550 | 1.95 | 184.26 | C8H12ON2S | CC(C)(C)C(=O)c1cnc(N)s1 |