aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20001 | 1.03 | 99.13 | C5H9ON | C=NOCC1CC1 |
|
AD20002 | 3.63 | 705.72 | C38H35O9N5 | COC(=O)C(Cc1c[nH]c2cc(-n3cc(-c4ccccc4)nn3)ccc12)NC(=O)C(OC)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O |
|
AD20003 | 6.05 | 472.71 | C30H48O4 | CC(C)CC(O)CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13 |
|
AD20004 | 12.84 | 799.02 | C40H80O11P2 | CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OC)OC(=O)CCCCCCCCCCCCCCCCC |
|
AD20005 | -1.12 | 162.19 | C7H14O4 | COC1CCC(O)C(O)C1O |
|
AD20006 | 0.68 | 130.23 | C7H18N2 | CC(C)N(C)CCCN |
|
AD20007 | -0.29 | 135.13 | C5H5N5 | Nc1ccc2nncn2n1 |
|
AD20008 | -2.02 | 763.91 | C30H45O7N13S2 | CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1ccc(N)nc1=O)C(=O)Cn1cnc2c(O)nc(N)nc21 |
|
AD20009 | -1.34 | 776.94 | C33H48O8N10S2 | CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1cnc2c1C=C(N)CC2=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O |
|
AD20010 | 12.74 | 653.09 | C41H80O5 | CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC |