aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08081 | -0.08 | 218.16 | C8H10O7 | O=C(O)C=C(O)COC(=O)CCC(=O)O |
|
AD08082 | 2.06 | 557.73 | C29H51O9N | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)C3(O2)OC1(C)C(O)C3C |
|
AD08083 | 4.4 | 434.66 | C27H46O4 | CC(CO)CCC1OC2CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C2C1C |
|
AD08084 | 3.39 | 209.7 | C11H8NClS | Clc1ccc(Cc2cncs2)cc1 |
|
AD08085 | 4.71 | 1383.27 | C70H69O17N11Cl2 | NCCCNCCCCNCCCNC(=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 |
|
AD08086 | -0.88 | 2273.87 | C113H134O29N21Cl | CC(C)CC1NC(=O)CNC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CCCN)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)C)NC(=O)C(CCCN)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CNC(=O)C(CC(N)=O)NC(=O)Cc2ccc3ccccc3c2)C(C(N)=O)OC(=O)C(c2ccc(O)c(Cl)c2)NC(=O)C(C)NC1=O |
|
AD08087 | 2.23 | 175.27 | C12H17N | c1ccc(CC2CCNCC2)cc1 |
|
AD08088 | 1.54 | 113.2 | C7H15N | CNC1CCCCC1 |
|
AD08089 | 4.97 | 370.89 | C18H11N4ClS2 | Clc1ccccc1Cc1nnc(-c2csc(-c3ccncc3)n2)s1 |
|
AD08090 | 1.24 | 742.83 | C39H46O9N6 | CC1NC(=O)C2Cc3ccc(O)c(c3)Oc3ccc(cc3)CC(C(=O)N2C)N(C)C(=O)C(C)NC(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C(C)NC1=O |