aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00541 | 1.02 | 191.3 | C8H17O2NS | CCCOC(=O)C(N)CCSC |
|
AD00542 | -1.55 | 126.12 | C4H6ON4 | N=C(N)C1NN=CC1=O |
|
AD00543 | 4.14 | 572.74 | C33H48O8 | CC1=CCC2CC(CC3(CCC(C)C(C(C)C)O3)O2)OC(=O)C2C=C(C)C(O)C3OCC(=CC=CC(C)C1O)C23O |
|
AD00544 | 2.29 | 255.26 | C13H11O2N4 | COc1ccc2c(c1)c(C=O)cn2CC1=C[N]N=N1 |
|
AD00545 | 3.92 | 570.72 | C33H46O8 | CC1=CCC2CC(CC3(C=CC(C)C(C(C)C)O3)O2)OC(=O)C2C=C(C)C(O)C3OCC(=CC=CC(C)C1O)C23O |
|
AD00546 | 2.0 | 271.74 | C14H18O3NCl | CC1OC(O)CC(C)(Nc2ccc(Cl)cc2)C1O |
|
AD00547 | 3.41 | 1271.13 | C62H65O18N9Cl2 | CCCN(CCC)C(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD00548 | 3.03 | 506.72 | C30H50O6 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O |
|
AD00549 | 5.14 | 390.46 | C22H18O3N2S | CCOC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1ccc(OC)cc1 |
|
AD00550 | 2.82 | 251.31 | C15H15N4 | CC(C)c1cccc(C2=C[N]c3ncnc(N)c32)c1 |