aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD10111 | 0.59 | 131.18 | C6H13O2N | CC(N)CCCC(=O)O |
|
AD10112 | 2.61 | 142.2 | C11H10 | CC=CC#Cc1ccccc1 |
|
AD10113 | 3.39 | 1713.69 | C85H99O21N15Cl2 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NC(=O)C(CCCCN)NC(=O)C(Cc4c[nH]c5ccccc45)NC(=O)C(N)CC(C)C)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD10114 | 1.5 | 153.21 | C7H13N4 | CCN(CC)C1=C(C)N=N[N]1 |
|
AD10115 | 1.69 | 201.25 | C11H13N4 | C1=Cc2c(ncnc2N2CCCCC2)[N]1 |
|
AD10116 | 2.02 | 636.76 | C35H40O4N8 | CNC(=O)C(CNC(=O)C(N)Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)NCCc1ccccc1 |
|
AD10117 | -2.65 | 986.06 | C49H55O10N13 | CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(Cc2ccc3nc(-c4ccc(-c5ccccc5)cc4)oc3c2)NC1=O |
|
AD10118 | 0.92 | 133.22 | C5H11ONS | CCCNC(=S)OC |
|
AD10119 | 2.4 | 234.3 | C14H18O3 | CC12CCCC(O1)C(C(O)c1ccccc1)O2 |
|
AD10120 | 6.02 | 482.71 | C31H46O4 | CC1CC2(OCCC3(C)OC32)OC2CC3(C)C4=CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C12 |