Avicularoside

Catalog	BBC572305
CAS	572-30-5
Structure
Synonyms	Fenicularin
IUPAC Name	3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Molecular Weight	434.35
Molecular Formula	C20H18O11
Canonical SMILES	C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O)O)O
InChI	InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1
InChI Key	BDCDNTVZSILEOY-UXYNSRGZSA-N
Boiling Point	855.4±65.0 °C
Melting Point	207-208 °C
Purity	98%
Density	1.86±0.1 g/ml
Appearance	Yellow powder
pKa	6.17±0.40