aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16441 | 5.0 | 337.84 | C19H12N3ClS | Clc1ccccc1Cc1nnc(-c2cc3ccccc3cn2)s1 |
|
AD16442 | 1.62 | 258.14 | C8H8N3SBr | NC(=S)NN=Cc1ccc(Br)cc1 |
|
AD16443 | 2.16 | 318.33 | C17H18O6 | Cc1c(O)c(CO)c(O)c2c1OC(c1ccc(O)cc1)CC2O |
|
AD16444 | 2.99 | 1551.62 | C67H72O26N9P2Cl3 | CC(C)CC(C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3cc(Cl)c(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O)N(C)C(=O)CCC(P(=O)(O)O)P(=O)(O)O |
|
AD16445 | 2.84 | 458.43 | C24H18O6N4 | O=C1c2c(c3c4ccc(O)cc4[nH]c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC1COCOC1 |
|
AD16446 | 3.28 | 211.26 | C14H13ON | ON=CC(c1ccccc1)c1ccccc1 |
|
AD16447 | 0.91 | 153.14 | C7H7O3N | ON=Cc1ccc(O)c(O)c1 |
|
AD16448 | 8.7 | 565.92 | C35H67O4N | CCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=C(C)CCCCCCCCC |
|
AD16449 | 9.49 | 927.07 | C56H54O9N4 | OCCOCCOc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccc(OCCOCCO)cc4)c4ccc([nH]4)c(-c4ccc(OCCOCCO)cc4)c4nc2C=C4)C=C3)cc1 |
|
AD16450 | 2.76 | 600.75 | C33H48O8N2 | CC1OC(O)CC(C)(NCc2cccc(OCC=CCCOc3cccc(CNC4(C)CC(O)OC(C)C4O)c3)c2)C1O |