aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD09211 | 1.06 | 268.36 | C14H24O3N2 | CN1CC(OC(=O)C2CCCCC2)CCC(N)C1=O |
|
AD09212 | 2.89 | 353.41 | C18H21O2N6 | O=C(NCCCCCNc1ncnc2c1N=C[N]2)OCc1ccccc1 |
|
AD09213 | 2.06 | 425.57 | C22H39O5N3 | CCCCCCCCCCCCNCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1 |
|
AD09214 | -0.48 | 246.3 | C12H22O5 | CC1(C)CC(O)CC(C)(O)C1(O)C=CC(O)O |
|
AD09215 | -6.81 | 2458.88 | C113H172O28N32S | 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)CNC(=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 |
|
AD09216 | -1.25 | 175.14 | C6H9O5N | COC(=O)CC(NC=O)C(=O)O |
|
AD09217 | 4.26 | 320.32 | C17H21O4P | COP(=O)(OCCc1ccccc1)OCCc1ccccc1 |
|
AD09218 | 7.54 | 526.76 | C33H50O5 | C=C(CCC(C(=O)O)C1C(OC(C)=O)CC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(C)C |
|
AD09219 | 6.11 | 458.73 | C30H50O3 | CC1(CO)CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD09220 | -1.59 | 388.16 | C9H14O11N2P2 | O=c1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1 |