Details of Anguivioside XI
| IUPAC | (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(2S,4R,5S)-4-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Canonical Smiles | CC1CC(OC1OC2C(C(C(C(O2)CO)O)O)O)C3(C(C4C(O3)CC5C4(CCC6C5CC=C7C6(CCC(C7)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC1C(C(C(C(O1)C)O)O)O)C)C)C)O |
| Inchi | RKECRWWERANOKJ-SXLXAPQYSA-N |
| PubChem ID | 101222825 |
| Smiles | CC1CC(C2(O)OC3CC4C5CC=C6CC(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)OC1OC1OC(CO)C(O)C(O)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC1CC%28C2%28O%29OC3CC4C5CC%3DC6CC%28OC7OC%28CO%29C%28O%29C%28OC8OCC%28O%29C%28O%29C8O%29C7OC7OC%28C%29C%28O%29C%28O%29C7O%29CCC6%28C%29C5CCC4%28C%29C3C2C%29OC1OC1OC%28CO%29C%28O%29C%28O%29C1O/file?format=sdf&get3d=True -- CC1CC%28C2%28O%29OC3CC4C5CC%3DC6CC%28OC7OC%28CO%29C%28O%29C%28OC8OCC%28O%29C%28O%29C8O%29C7OC7OC%28C%29C%28O%29C%28O%29C7O%29CCC6%28C%29C5CCC4%28C%29C3C2C%29OC1OC1OC%28CO%29C%28O%29C%28O%29C1O could not be loaded.
| Class | |
| Super Class | |
| Pathways |