Description
IUPAC Name: 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[3,2-g]chromen-7-one
InChI: InChI=1S/C17H16O9/c18-6-11-13(20)14(21)15(22)17(25-11)26-16-7-1-2-12(19)24-10(7)5-9-8(16)3-4-23-9/h1-5,11,13-15,17-18,20-22H,6H2/t11-,13-,14+,15-,17+/m1/s1
InChIKey: CVAHFYWRHVOEBA-AQFIFQLPSA-N
Canonical SMILES: C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)OC4C(C(C(C(O4)CO)O)O)O
Isomeric SMILES: C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Synonyms: Bergaptol-O-glucopyranoside; 131623-13-7; Bergaptol-beta-glucopyranoside; Bergaptol O-beta-D-glucopyranoside; 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[3,2-g]chromen-7-one; Bergaptol O-; A-D-glucopyranoside; Bergaptol-O-beta-D-glucopyranoside; …
Botanical Source: