active glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD006333 | 2.26 | 462.96 | C23H23O5N2ClS | N#Cc1c(-c2ccc(Cl)cc2)c2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCCC2 |
|
GD002787 | 0.95 | 616.62 | C33H32O10N2 | CC(O)C1(O)C(O)CC(OC2c3cc4c(c(O)c3[C@@H]3C[C@@]2(C)OC32C=c3cc[nH]c3=N2)C(=O)c2cccc(O)c2C4=O)OC1C |
|
GD000564 | -0.17 | 532.94 | C25H25O8N4Cl | OCC(O)C(OC1OC(CO)C(O)C(O)C1O)c1nn(-c2ccccc2)c2nc3cc(Cl)ccc3nc12 |
|
GD011086 | 0.39 | 1027.01 | C40H50O20N8S2 | CSc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(N=CC=Nc2c(NC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)nc(SC)[nH]c2=O)c(=O)[nH]1 |
|
GD007975 | 2.52 | 522.58 | C24H30O9N2S | CCc1c(C)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1C |
|
GD020039 | 2.15 | 785.02 | C42H72O13 | CC(=CCC[C@@](C)(OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)[C@@H]1CC[C@]2(C)[C@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3C[C@H](O)[C@]12C)CO |
|
GD016282 | 2.58 | 664.38 | C25H22O12N5Br | CC(=O)OC1COC(N2C(=O)C(=NNc3ccc([N+](=O)[O-])cc3)c3cc(Br)c([N+](=O)[O-])cc32)C(OC(C)=O)C1OC(C)=O |
|
GD017678 | -4.47 | 1339.48 | C63H102O30 | CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)[C@@]56CCC(C)(C)C[C@H]5C5=CCC7[C@]8(C)C[C@H](O)[C@H](OC9OC(CO)C(O)C(O)C9O)[C@](C)(CO)[C@H]8CC[C@@]7(C)[C@@]5(C)CC6)OCC(O)C4O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O |
|
GD004840 | -0.01 | 430.2 | C18H28O4N2Cl4 | OC(CN(CCCl)CCCl)C(O)C(O)C(O)CN(CCCl)CCCl |
|
GD003301 | -1.03 | 994.87 | C40H50O22N8 | COc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(N=CC=Nc2c(NC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)nc(OC)[nH]c2=O)c(=O)[nH]1 |