aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16101 | 18.39 | 964.58 | C60H105O4N3S | CCCCCCCCC=CCCCCCCCC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCCCCCCCCOCc1cn(CCCCCCCCCCCCCCCCSC)nn1)O2 |
|
AD16102 | 4.85 | 274.77 | C16H11OClS | Oc1ccc(Cc2cc3ccccc3s2)c(Cl)c1 |
|
AD16103 | 3.49 | 342.35 | C19H18O6 | COc1cc(OC)c2c(=O)cc(-c3ccc(OC)c(OC)c3)oc2c1 |
|
AD16104 | -1.04 | 147.13 | C5H9O4N | COC(=O)CC(N)C(=O)O |
|
AD16105 | 6.17 | 515.82 | C30H61O5N | CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)CCCCCCCCCCCO |
|
AD16106 | 0.14 | 220.21 | C9H10O2N5 | Nc1nc(OC2CCOC2)nc2c1N=C[N]2 |
|
AD16107 | 0.07 | 176.18 | C8H8ON4 | OC1CN=C2c3cc[nH]c3N=CN21 |
|
AD16108 | 3.2 | 358.35 | C19H18O7 | COc1cc(O)c2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)oc2c1 |
|
AD16109 | 7.42 | 750.3 | C47H40O5N3Cl | CN(C)c1ccc2c(-c3ccc(C(=O)NCc4ccc(COc5ccc(Cc6ccccc6Cl)cc5)cc4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 |
|
AD16110 | 5.84 | 741.83 | C40H41O5N10 | O=C(Nc1cc(OCCN2CCCC2)c2ccccc2n1)c1cc(OCC2=C[N]N=N2)cc(C(=O)Nc2cc(OCCN3CCCC3)c3ccccc3n2)n1 |