aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20041 | 3.75 | 242.32 | C16H18O2 | C=C(C#Cc1cc(O)ccc1O)CCC=C(C)C |
|
AD20042 | 1.11 | 140.14 | C7H8O3 | COc1c(O)cccc1O |
|
AD20043 | 1.77 | 371.18 | C13H14O2N3I | O=c1[nH]ccc(=NOCCCc2ccc(I)cc2)[nH]1 |
|
AD20044 | 3.87 | 774.09 | C41H79O10N3 | CCCCCCCC(=O)NCCCOC1C(C)N(C)CC(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C1(C)O |
|
AD20045 | 6.59 | 647.83 | C37H45O2N9 | CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(OCCCCCCCCOCc7cn(C)nn7)cc6)[nH]c5c4)[nH]c3c2)CC1 |
|
AD20046 | -0.01 | 503.54 | C17H17O9N3S3 | CSCC(=O)NCCN1C(=O)c2cc(S(=O)(=O)O)cc3c(N)c(S(=O)(=O)O)cc(c23)C1=O |
|
AD20047 | 0.71 | 204.2 | C7H8O5S | O=S(=O)(O)OCc1ccccc1O |
|
AD20048 | 3.3 | 288.22 | C9H22O6P2 | CCCCCCCCP(=O)(O)OP(=O)(O)OC |
|
AD20049 | 0.67 | 153.14 | C7H7O3N | Nc1ccc(C(=O)O)c(O)c1 |
|
AD20050 | 4.1 | 546.75 | C32H50O7 | CC(=O)OC(C1CC(C)C2C(O)(O1)C(O)C1(C)C3=CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)O |