Details of Chrysin 7-glucoside
| IUPAC | (2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-6-[(3S,4S,5R,6S)-4-hydroxy-6-[[(1S,2R,4S,5R,8R,9R,10S,13R,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl]oxy]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-2-(hydroxymethyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical Smiles | CC1(CCC23COC4(C2C1)CCC5C6(CCC(C(C6CCC5(C4(CC3O)C)C)(C)CO)OC7C(C(C(CO7)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)O)O)O)OC1C(C(C(CO1)O)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)C |
| Inchi | CLKWJGZDAVWDQK-RBCBGVIXSA-N |
| PubChem ID | 102007423 |
| Smiles | CC(N)C(=O)NC(C)C(=O)O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC%28N%29C%28%3DO%29NC%28C%29C%28%3DO%29O/file?format=sdf&get3d=True -- CC%28N%29C%28%3DO%29NC%28C%29C%28%3DO%29O could not be loaded.
| Class | Oleanane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |