aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD01571 | -0.01 | 202.23 | C7H10O3N2S | Nc1cccc(COS(N)(=O)=O)c1 |
|
AD01572 | 5.79 | 416.65 | C27H44O3 | CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C |
|
AD01573 | 12.73 | 508.96 | C35H72O | CCCCCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCCC(C)C |
|
AD01574 | -3.02 | 389.34 | C14H21O9N4 | CC(=O)NC1C(O)CC(OCC2=C[N]N=N2)(C(=O)O)OC1C(O)C(O)CO |
|
AD01575 | 4.36 | 348.53 | C22H36O3 | COC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)=O)CCC32O)C1 |
|
AD01576 | 5.48 | 1284.11 | C64H52O17N8Cl2S | NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)N1CCSCC1)NC3=O |
|
AD01577 | 2.34 | 329.38 | C16H21O2N6 | CC(C)(C)OC(=O)N1C2CCC1C(Nc1ncnc3c1N=C[N]3)C2 |
|
AD01578 | -4.24 | 246.27 | C8H18O3N6 | NC(N)=NC1CC(N=C(N)N)C(O)C(O)C1O |
|
AD01579 | 4.34 | 1312.14 | C66H60O17N10Cl2 | NCCCNCCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD01580 | 3.51 | 612.76 | C34H48O8N2 | CCC(=O)OC1CC(=O)OCCC(C=CCc2cnc3ccccc3c2)CN(C)CC(O)C(C)CC(CC=O)C(O)C1OC |