3-[[6-O-(6-Deoxy-alpha-L-Mannopyranosyl)-beta-D-Glucopyranosyl]Oxy]-2-(3,4-Dihydroxyphenyl)-5-(beta-D-Glucopyranosyloxy)-7-Hydroxy-1-Benzopyrylium
[CAS# 135558-26-8]

Identification

• Name: 3-[[6-O-(6-Deoxy-alpha-L-Mannopyranosyl)-beta-D-Glucopyranosyl]Oxy]-2-(3,4-Dihydroxyphenyl)-5-(beta-D-Glucopyranosyloxy)-7-Hydroxy-1-Benzopyrylium
• Synonyms: (2S,3R,4S,5S,6R)-2-[2-(3,4-Dihydroxyphenyl)-7-Hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Chromenylium-3-Yl]Oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[[2-(3,4-Dihydroxyphenyl)-7-Hydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-Chromenyliumyl]Oxy]-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxymethyl]Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[[2-(3,4-Dihydroxyphenyl)-7-Hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1-Benzopyrylium-3-Yl]Oxy]-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₃₃H₄₁O₂₀
• Molecular Weight: 757.67
• CAS Registry Number: 135558-26-8
• SMILES: [O+]1=C5C(=CC(=C1C2=CC(=C(C=C2)O)O)O[C@H]3[C@@H]([C@@H](O)[C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H](O)[C@H]([C@@H](O4)C)O)O)O)O)C(=CC(=C5)O)O[C@H]6[C@@H]([C@@H](O)[C@@H]([C@H](O6)CO)O)O
• InChI: 1S/C33H40O20/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-16(49-30(18)11-2-3-14(36)15(37)4-11)5-12(35)6-17(13)50-32-28(45)25(42)22(39)19(8-34)52-32/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37)/p+1/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1
• InChIKey: DFJZNAHUOVEDQB-HWKLKBEVSA-O