Nemorososide

[(1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoate

Also Known As: Nemorososide|beta-D-Glucopyranoside, (1S,4aR,5R,7S,7aS)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-5-(((2E,6E)-8-hydroxy-2,6-dimethyl-1-oxo-2,6-octadienyl)oxy)-7-methylcyclopenta(c)pyran-1-yl|[(1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoate

Molecular Formula	C25H38O11
Molecular Weight	514.2414 g/mol
LogP	-0.3631
Topological Polar Surface Area	175.37 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	11
Rotatable Bonds	9
Exact Mass	514.2414
Monoisotopic Mass	514.2414
Heavy Atoms	36
Complexity	848.94354

Chemical Identifiers

CAS Number	85802-36-4
SMILES	C/C(=C\CO)/CC/C=C(\C)/C(=O)O[C@@H]1C[C@]([C@@H]2[C@H]1C=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)(C)O