aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06091 | 0.68 | 348.35 | C18H20O7 | CC1(OC(=O)C=Cc2ccc(O)cc2)CC(O)C2(O)C=COC(O)C12 |
|
AD06092 | 1.73 | 236.36 | C14H24ON2 | CCCC12CN3CN(C1)CC(CCC)(C3)C2=O |
|
AD06093 | 4.52 | 234.3 | C17H14O | COc1ccc(-c2cccc3ccccc23)cc1 |
|
AD06094 | 10.36 | 709.0 | C38H77O9P | CCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC(CO)CO |
|
AD06095 | 8.67 | 783.08 | C41H83O11P | CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OCCCCCCCCCCCCCCCC |
|
AD06096 | 3.35 | 394.4 | C22H20O6N | CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)ccc1[O-] |
|
AD06097 | -5.9 | 1442.77 | C60H107O11N29S | N=C(N)NCCCC(NC(=O)CCCCCNC=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(=O)CCCCCNCCNS(=O)(=O)c1cccc2cnccc12 |
|
AD06098 | 5.06 | 486.69 | C30H46O5 | CC1(C=O)CCC23C(=O)OC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1 |
|
AD06099 | 1.83 | 303.31 | C16H11ON6 | CONc1nc(C#Cc2ccc(CC#N)cc2)nc2c1N=C[N]2 |
|
AD06100 | 2.04 | 647.8 | C32H57O12N | CCOC(=O)OC1C(OC2C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C |