Physcion 8-o-beta-D-monoglucoside

Catalog	BBC26296548
CAS	26296-54-8
Structure
Synonyms	3-Methyl-6-methoxy-1,8-dihydroxyanthraquinone 1-glucoside
IUPAC Name	1-Hydroxy-3-methoxy-6-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Molecular Weight	446.4
Molecular Formula	C22H22O10
Canonical SMILES	CC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)OC
InChI	InChI=1S/C22H22O10/c1-8-3-10-16(19(27)15-11(17(10)25)5-9(30-2)6-12(15)24)13(4-8)31-22-21(29)20(28)18(26)14(7-23)32-22/h3-6,14,18,20-24,26,28-29H,7H2,1-2H3/t14-,18-,20+,21-,22-/m1/s1
InChI Key	WLXGUTUUWXVZNM-DQMLXFRHSA-N
Boiling Point	796.3±60.0 °C
Melting Point	235 °C
Purity	98%
Density	1.567±0.06 g/ml
Appearance	Powder
pKa	6.29±0.20