aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04681 | -5.93 | 2498.95 | C116H176O28N32S | CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(N)=O)NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(N)C(C)O)C(C)C)C(C)O)C(C)C)C(=O)NC(C(=O)NC(CCCCN)C(=O)O)C(C)C |
|
AD04682 | -0.67 | 193.21 | C6H5N6S | NC(=S)C1=C[N]c2nnnc(N)c21 |
|
AD04683 | 4.22 | 391.4 | C20H26O5NP | COP(=O)(NC(COC(=O)C(C)C)Cc1ccccc1)Oc1ccccc1 |
|
AD04684 | 5.81 | 364.86 | C21H13ON2ClS | CC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1ccc(Cl)cc1 |
|
AD04685 | 12.47 | 621.09 | C40H80O2N2 | CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C(=O)CCCCCCCCCCCCCCCCC |
|
AD04686 | -0.63 | 379.41 | C18H25O6N3 | CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)OCc1ccccc1)C(N)=O |
|
AD04687 | 3.44 | 399.4 | C20H21O6N3 | COC(=O)CCCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccc(O)cc3c(=O)c12 |
|
AD04688 | 3.75 | 838.13 | C46H79O12N | CCC1OC(=O)CC(O)C(C)C(O)C(CCNCCC2CC(C)C(O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C2O)CC(C)C(O)C=CC(C)=CC1CO |
|
AD04689 | 4.29 | 446.63 | C27H42O5 | CC1CC(O)C2(OC1=O)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C |
|
AD04690 | 1.2 | 112.13 | C6H8O2 | CC=CC=CC(=O)O |