aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04671 | 1.03 | 436.49 | C14H16O8N2S3 | O=S(=O)(O)CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)(=O)O)cc2)cc1 |
|
AD04672 | -0.19 | 148.15 | C6H6N5 | Cn1cnc2c(c1=N)N=C[N]2 |
|
AD04673 | 0.57 | 177.19 | C8H9ON4 | COCCc1ncnc2c1N=C[N]2 |
|
AD04674 | 1.31 | 836.03 | C44H69O14N | CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)NCCCO |
|
AD04675 | 2.99 | 266.33 | C15H16N5 | CCC(CNc1ncnc2c1N=C[N]2)c1ccccc1 |
|
AD04676 | 1.31 | 182.17 | C9H10O4 | COc1cc(O)cc(O)c1C(C)=O |
|
AD04677 | 2.76 | 277.28 | C16H11O2N3 | N#Cc1c(-c2ccco2)cc(-c2ccc(N)cc2)[nH]c1=O |
|
AD04678 | 4.54 | 588.83 | C35H56O7 | CC=C(C)C(=O)OC1C(O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O |
|
AD04679 | -16.78 | 4908.4 | C220H325O71N55S | CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CSC1CC(=O)N(CCOCCOCCOCc2cn(CCO)nn2)C1=O)C(C)O)C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)O |
|
AD04680 | -3.22 | 323.3 | C12H21O9N | COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1 |