1,2-Di-O-sinapoyl-beta-D-glucose

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Also Known As: 1,2-di-O-sinapoyl-beta-D-glucose|1,2-disinapoylglucose|1,2-Bis-O-sinapoyl-beta-D-glucoside|1,2-di-O-sinapoyl beta-D-glucose|sinapoyl 2-O-sinapoyl-beta-D-glucoside|1,2-Bis-O-sinapoyl-beta-D-glucose|TN8788|1,2-bis-O-sinapoyl beta-D-glucoside|1,2-di-O-sinapoyl-beta-d-glucopyranose|J2.206.945D|J2.749.615F|[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate|1-O,2-O-Bis(3,5-dimethoxy-4-hydroxycinnamoyl)-beta-D-glucopyranose|1-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-beta-D-glucopyranose|beta-D-Glucopyranose 1,2-bis(4-hydroxy-3,5-dimethoxybenzenepropenoate)|1,2-Bis-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-beta-D-glucopyranose|1-O,2-O-Bis[(E)-3-(3,5-dimethoxy-4-hydroxyphenyl)acryloyl]-beta-D-glucopyranose|1-O,2-O-Bis[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)propenoyl]-beta-D-glucopyranose|((2S,3R,4S,5S,6R)-4,5-dihydroxy-2-((E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl)oxy-6-(hydroxymethyl)oxan-3-yl) (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate|(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate|(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate|1-O-((2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl)-2-O-((2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl)-beta-D-glucopyranose

Molecular Formula	C28H32O14
Molecular Weight	592.1792 g/mol
LogP	0.7528
Topological Polar Surface Area	199.9 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	14
Rotatable Bonds	11
Exact Mass	592.1792
Monoisotopic Mass	592.1792
Heavy Atoms	42
Complexity	1269.6704

Chemical Identifiers

CAS Number	91095-79-3
SMILES	COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)/C=C/C3=CC(=C(C(=C3)OC)O)OC)CO)O)O