aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11401 | -0.62 | 440.36 | C19H20O12 | O=C(O)CC(=O)OC1CC(O)(C(=O)O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O |
|
AD11402 | 3.77 | 802.06 | C44H71O10N3 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCC(=O)NC(C)c2cccc3ccccc23)C(C)C(O)C1(C)O |
|
AD11403 | -0.14 | 271.26 | C11H11ON8 | CN(C)C(=O)c1cnn(-c2nc(N)c3c(n2)[N]C=N3)c1 |
|
AD11404 | -0.01 | 314.32 | C11H14O5N4S | CN(CC(=O)O)c1ccc(S(=O)(=O)N(C)C)c2nonc12 |
|
AD11405 | 3.2 | 326.38 | C16H14O2N4S | COc1cc(C=Nn2c(-c3ccccc3)n[nH]c2=S)ccc1O |
|
AD11406 | 5.78 | 570.81 | C35H54O6 | CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C12CO |
|
AD11407 | 0.44 | 101.1 | C4H7O2N | C=CCNC(=O)O |
|
AD11408 | -2.54 | 654.82 | C28H54O6N12 | CC(NC(=O)CCCCCNC=O)C(=O)NCCCCCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O |
|
AD11409 | 1.69 | 312.35 | C16H18O2N5 | COC(=O)C1CCC(CC#Cc2nc(N)c3c(n2)[N]C=N3)CC1 |
|
AD11410 | 1.56 | 259.31 | C14H17O2N3 | O=c1[nH]ccc(=NOCCCCc2ccccc2)[nH]1 |