aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23221 | 1.7 | 216.25 | C9H6N5S | Nc1nc(-c2ccsc2)nc2c1N=C[N]2 |
|
AD23222 | 0.02 | 382.45 | C20H30O7 | CC1=C(C(C)CO)CC2(O)C3(C)CC(=O)OC4C(C)CCC3(O)C4(O)C12O |
|
AD23223 | 2.81 | 721.91 | C37H60O8N5F | COC1(C)CC(C)C(O)C(C)CN(C)CC(Cn2cc(-c3ccc(F)cc3)nn2)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O |
|
AD23224 | 1.03 | 111.14 | C6H9ON | C=NOCC#CCC |
|
AD23225 | 2.19 | 600.53 | C32H24O12 | O=C(C=Cc1ccc(O)cc1)C1=C(O)C(C2COC3=C(C(=O)C=Cc4ccc(O)cc4)C(=O)C(O)C(O)=C32)=C(O)C(O)C1=O |
|
AD23226 | 4.09 | 274.75 | C17H15O2Cl | Clc1ccccc1Cc1ccc2c(c1)OCCCO2 |
|
AD23227 | 5.46 | 332.88 | C20H25ON2Cl | CCCCCCCCOc1ccc(Cc2ccccc2Cl)nn1 |
|
AD23228 | 2.75 | 188.31 | C11H24O2 | CCCCCCOCCCCCO |
|
AD23229 | 1.39 | 220.27 | C12H16O2N2 | CCCCCCC#Cc1c[nH]c(=O)[nH]c1=O |
|
AD23230 | -6.23 | 939.14 | C39H74O9N18 | CN(CCCN1CCCC1C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(N)=O)CCC(N)C(=O)O |