Details of Gypenoside XLIX
| IUPAC | (3S,5S,8R,9S,10S,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-3-[(2S,3R,4S,5S)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde |
| Canonical Smiles | CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C(CCC6(C5(CCC4C3(C)C)C)C)C(CCC=C(C)C)(COC7C(C(C(C(O7)CO)O)O)O)O)C=O)O)OC8C(C(C(CO8)O)O)O)O)O)O |
| Inchi | AFEVCSJFNQWWDF-AZFNEDKCSA-N |
| PubChem ID | 16007240 |
| Smiles | CC(C)=CCCC(O)(COC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C=O)CCC(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC12C |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC%28C%29%3DCCCC%28O%29%28COC1OC%28CO%29C%28O%29C%28O%29C1O%29C1CCC2%28C%29C1CCC1C3%28C%3DO%29CCC%28OC4OCC%28O%29C%28OC5OCC%28O%29C%28O%29C5O%29C4OC4OC%28C%29C%28O%29C%28O%29C4O%29C%28C%29%28C%29C3CCC12C/file?format=sdf&get3d=True -- CC%28C%29%3DCCCC%28O%29%28COC1OC%28CO%29C%28O%29C%28O%29C1O%29C1CCC2%28C%29C1CCC1C3%28C%3DO%29CCC%28OC4OCC%28O%29C%28OC5OCC%28O%29C%28O%29C5O%29C4OC4OC%28C%29C%28O%29C%28O%29C4O%29C%28C%29%28C%29C3CCC12C could not be loaded.
| Class | Dammarane and Protostane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |