aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00721 | 3.77 | 227.33 | C14H13NS | CNCc1cccc2c1sc1ccccc12 |
|
AD00722 | 6.78 | 642.92 | C39H62O7 | CC=CC(=O)OC1C(OC(=O)C(C)CC)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C |
|
AD00723 | 5.0 | 299.46 | C20H29ON | CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(N)=O |
|
AD00724 | 1.44 | 133.26 | C6H15NS | NCCCCCCS |
|
AD00725 | -3.99 | 1029.18 | C42H60O11N16S2 | Cc1c(N)nc(C2CC(=O)N2CC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCNCC(C)O)cs2)cs1)C(C)O)C(O)c1c[nH]cn1 |
|
AD00726 | 3.94 | 357.39 | C21H17O2N4 | Cc1ccccc1C1=C[N]c2ncnc(Nc3ccc4c(c3)OCCO4)c21 |
|
AD00727 | 4.97 | 1283.1 | C65H57O17N9Cl2 | CNCCCN(C)C(=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 |
|
AD00728 | 0.98 | 590.8 | C30H58O9N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O |
|
AD00729 | 1.4 | 246.27 | C12H14O2N4 | Cc1ccccc1Cn1cc(CNC(=O)O)nn1 |
|
AD00730 | -6.01 | 883.02 | C32H58O13N12S2 | CCC(C)C(NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCSC)NC=O)C(C)O)C(=O)NS(=O)(=O)OC |