Griselinoside

dimethyl (1R,4aR,7R,7aR)-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4,7-dicarboxylate

Also Known As: Griselinoside|NP3853|dimethyl (1R,4aR,7R,7aR)-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4,7-dicarboxylate|Cyclopenta(c)pyran-4,7-dicarboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-oxo-, dimethyl ester, (1S-(1alpha,4aalpha,7alpha,7aalpha))-|dimethyl (1R,4aR,7R,7aR)-1-(beta-D-glucopyranosyloxy)-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate|(1S)-1+/--(-D-Glucopyranosyloxy)-1,4a+/-,5,6,7,7a+/--hexahydro-5-oxocyclopenta[c]pyran-4,7+/--dicarboxylic acid dimethyl ester|(1S)-1alpha-(beta-D-Glucopyranosyloxy)-1,4aalpha,5,6,7,7aalpha-hexahydro-5-oxocyclopenta[c]pyran-4,7alpha-dicarboxylic acid dimethyl ester|4,7-DIMETHYL (1R,4AR,7R,7AR)-5-OXO-1-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-1H,4AH,6H,7H,7AH-CYCLOPENTA[C]PYRAN-4,7-DICARBOXYLATE|dimethyl (1R,4aR,7R,7aR)-5-oxo-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta(c)pyran-4,7-dicarboxylate|Dimethyl 1-(hexopyranosyloxy)-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate

Molecular Formula	C18H24O12
Molecular Weight	432.12677 g/mol
LogP	-2.4
Topological Polar Surface Area	178.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	7
Exact Mass	432.12677
Monoisotopic Mass	432.12677
Heavy Atoms	30
Complexity	720.0

Chemical Identifiers

CAS Number	71035-06-8
SMILES	COC(=O)[C@@H]1CC(=O)[C@@H]2[C@H]1[C@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChIKey	USONHTFDCJKLKO-PHAJAEPKSA-N