(1S,4aS,5S,7aS)-1-(b-D-Glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-4-carboxylic acid

Catalog	BBC14259553
CAS	14259-55-3
Synonyms	Desacetyl asperulosidic acid
IUPAC Name	(1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Molecular Weight	390.34
Molecular Formula	C16H22O11
Canonical SMILES	C1=C([C@@H]2[C@H]([C@H]1O)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO
InChI	InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)/t7-,8+,9+,10-,11+,12-,13+,15-,16-/m0/s1
InChI Key	ZVXWFPTVHBWJOU-YYFGDFGFSA-N
Boiling Point	744.1±60.0 °C
Purity	98%
Density	1.73 g/ml
Appearance	Powder
pKa	4.34±0.70