aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06721 | 5.55 | 282.77 | C19H15OCl | Clc1c(Cc2ccc(C3CC3)cc2)ccc2occc12 |
|
AD06722 | 4.59 | 290.81 | C17H15OClS | COc1ccc(Cc2ccc3c(c2Cl)SCC3)cc1 |
|
AD06723 | -4.59 | 2312.68 | C100H142O33N20S5 | COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(N(C(C)=O)C(=O)C(CS)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(NC(=O)C(CNC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(CCCCNC(=O)CCS)NC(=O)CCS)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(CCCCNC(=O)CCS)NC(=O)CCS)C(C)O)CC2 |
|
AD06724 | 1.86 | 293.72 | C11H6ON6ClS | O=C(NNc1nc(Cl)nc2c1N=C[N]2)c1cccs1 |
|
AD06725 | 1.91 | 182.24 | C9H10O2S | C=CS(=O)(=O)c1ccc(C)cc1 |
|
AD06726 | 2.32 | 299.76 | C12H12O2N4ClS | CCS(=O)(=O)N(CC1=C[N]N=N1)c1ccc(Cl)cc1 |
|
AD06727 | 4.78 | 371.57 | C18H35O2N4S | CCCCCCCCCCCCCCN(CC1=C[N]N=N1)S(C)(=O)=O |
|
AD06728 | 1.77 | 245.29 | C11H9ON4S | COc1nc(N)nc2c1C(c1cccs1)=C[N]2 |
|
AD06729 | 2.78 | 332.27 | C15H9ON5F3 | CONc1nc(C#Cc2cccc(C(F)(F)F)c2)nc2c1N=C[N]2 |
|
AD06730 | 4.03 | 231.36 | C14H17NS | CC(C)(C)c1ccc(Cc2cncs2)cc1 |