Description
IUPAC Name: (2S)-2-[3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
InChI: InChI=1S/C21H22O12/c22-6-15-18(28)19(29)20(30)21(33-15)32-14-2-7(1-11(26)17(14)27)12-5-10(25)16-9(24)3-8(23)4-13(16)31-12/h1-4,12,15,18-24,26-30H,5-6H2/t12-,15+,18+,19-,20+,21+/m0/s1
InChIKey: SNFFBROYEDWRGB-NHXQFOETSA-N
Canonical SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C(=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O
Isomeric SMILES: C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
Synonyms: Plantagoside; 78708-33-5; FR4TR9587N; 2′-O-beta-Glucopyranosyl-5,7,4′,5′-tetrahydroxyflavanone; 4H-1-Benzopyran-4-one, 2-(3-(beta-D-glucopyranosyloxy)-4,5-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (S)-; UNII-FR4TR9587N; CHEBI:81163; DTXSID20229256; …
Botanical Source: Plantaginis Herba