Hispiduloside

Catalog	BBC17680841
CAS	17680-84-1
Structure
Synonyms	Hispidulin 7-glucoside
IUPAC Name	5-Hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Weight	462.4
Molecular Formula	C22H22O11
Canonical SMILES	COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI	InChI=1S/C22H22O11/c1-30-21-14(32-22-20(29)19(28)17(26)15(8-23)33-22)7-13-16(18(21)27)11(25)6-12(31-13)9-2-4-10(24)5-3-9/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3/t15-,17-,19+,20-,22-/m1/s1
InChI Key	GCLAFEGUXXHIFT-IWLDQSELSA-N
Boiling Point	798.1±60.0 °C
Melting Point	256-258 °C
Purity	98%
Density	1.61 g/ml
Appearance	Powder
pKa	6.11±0.40