Kaempferol 3-O-Sophoroside

Catalog	BBC19895955
CAS	19895-95-5
Structure
Synonyms	3-(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyloxy)-4',5,7-trihydroxyflavone
IUPAC Name	3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular Weight	610.52
Molecular Formula	C27H30O16
Canonical SMILES	C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
InChI	InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1
InChI Key	LKZDFKLGDGSGEO-UJECXLDQSA-N
Boiling Point	995.0±65.0 °C
Melting Point	194-198 °C
Purity	98%
Density	1.82 g/ml
Appearance	Powder
pKa	6.20±0.40