aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00561 | 1.19 | 356.41 | C17H22O2N7 | Nc1cc(C(O)CNCCCCNc2ncnc3c2N=C[N]3)ccc1O |
|
AD00562 | 5.37 | 1133.21 | C60H68O18N4 | CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)N(C)CCN(C)C(=O)OCc3ccc(O)c(N)c3)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C |
|
AD00563 | 0.5 | 243.25 | C10H11N8 | CCCc1cn(-c2nc(N)c3c(n2)[N]C=N3)nn1 |
|
AD00564 | 0.01 | 231.23 | C8H9O5NS | COS(=O)(=O)NC(=O)c1ccccc1O |
|
AD00565 | 0.41 | 325.5 | C13H27O4NS2 | CSCCCCCCSC1OC(CO)C(O)C(O)C1N |
|
AD00566 | 10.26 | 622.03 | C39H75O4N | CCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=C(C)CCCCCCCCC |
|
AD00567 | 2.28 | 286.24 | C15H10O6 | O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 |
|
AD00568 | 3.48 | 552.66 | C29H44O10 | CC1CC2(OC(=O)OC2C)C(O)C(OC2C(C)C=CC(=O)OC(C)C(CO)C=CCCC(=O)C(C)CC2C)O1 |
|
AD00569 | -0.33 | 237.98 | C4H3O2N2I | O=c1[nH]cc(I)c(=O)[nH]1 |
|
AD00570 | 4.22 | 211.39 | C14H29N | CN(C)C1CCCCCCCCCCC1 |