1.02011-09-21 00:26:06 UTC2015-10-09 22:33:12 UTCFDB023194SalicinSalicin is an alcoholic β-glycoside that contains D-glucose. Salicin is an anti-inflammatory agent that is produced from willow bark. Salicin is closely related in chemical make-up to aspirin and has a very similar action in the human body. When consumed by humans, Salicin is metabolized into salicylic acid. [HMDB]2-(Hydroxymethyl)phenyl hexopyranoside2-(Hydroxymethyl)phenyl-b-D-glucopyranoside2-(Hydroxymethyl)phenyl-beta-D-glucopyranoside2-(Hydroxymethyl)phenyl-O-b-D-glucopyranoside2-(Hydroxymethyl)phenyl-O-beta-D-glucopyranoside2-(Hydroxymethyl)phenyl-O-β-D-glucopyranoside2-(Hydroxymethyl)phenyl-β-D-glucopyranoside2(Hydroxymethyl)phenyl-b-D-glucopyranoside2(Hydroxymethyl)phenyl-beta-D-glucopyranoside2(Hydroxymethyl)phenyl-β-D-glucopyranosideD-(-)-SalicinD-Salicindelta-SalicinO-(Hydroxymethyl)phenyl b-D-glucopyranosideO-(Hydroxymethyl)phenyl beta-D-glucopyranosideO-(Hydroxymethyl)phenyl β-D-glucopyranosideSalicinSalicineSalicosideSalicyl alcohol glucosideSaligenin b-D-glucopyranosideSaligenin beta-D-glucopyranosideSaligenin beta-delta-glucopyranosideSaligenin β-D-glucopyranosideSaligenin-b-D-glucopyranosideSaligenin-beta-D-glucopyranosideSaligenin-beta-delta-glucopyranosideC13H18O7286.2778286.10525293(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triolsalicin138-52-3OC[C@H]1O[C@@H](OC2=C(CO)C=CC=C2)[C@H](O)[C@@H](O)[C@@H]1OInChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1NGFMICBWJRZIBI-UJPOAAIJSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.Phenolic glycosidesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugatesAromatic heteromonocyclic compoundsAcetalsAromatic alcoholsBenzyl alcoholsHydrocarbon derivativesMonosaccharidesO-glycosyl compoundsOxacyclic compoundsOxanesPhenol ethersPhenoxy compoundsPolyolsPrimary alcoholsSecondary alcoholsAcetalAlcoholAromatic alcoholAromatic heteromonocyclic compoundBenzenoidBenzyl alcoholHydrocarbon derivativeMonocyclic benzene moietyMonosaccharideO-glycosyl compoundOrganoheterocyclic compoundOxacycleOxanePhenol etherPhenolic glycosidePhenoxy compoundPolyolPrimary alcoholSecondary alcoholPhenylpropanoidsaromatic primary alcoholaryl beta-D-glucosidebenzyl alcoholsSolidlogp-1.15logs-1.06solubility2.49e+01 g/llogp-1.4pka_strongest_acidic12.2pka_strongest_basic-2.9iupac(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triolaverage_mass286.2778mono_mass286.10525293smilesOC[C@H]1O[C@@H](OC2=C(CO)C=CC=C2)[C@H](O)[C@@H](O)[C@@H]1OformulaC13H18O7inchiInChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1inchikeyNGFMICBWJRZIBI-UJPOAAIJSA-Npolar_surface_area119.61refractivity67polarizability27.89rotatable_bond_count4acceptor_count7donor_count5physiological_charge0formal_charge0Specdb::NmrTwoD1911Specdb::CMs851Specdb::CMs16254Specdb::CMs30686Specdb::CMs38626Specdb::CMs168419Specdb::NmrOneD1976Specdb::NmrOneD28222Specdb::NmrOneD28223Specdb::NmrOneD28224Specdb::NmrOneD28225Specdb::NmrOneD28226Specdb::NmrOneD28227Specdb::NmrOneD28228Specdb::NmrOneD28229Specdb::NmrOneD28230Specdb::NmrOneD28231Specdb::NmrOneD28232Specdb::NmrOneD28233Specdb::NmrOneD28234Specdb::NmrOneD28235Specdb::NmrOneD28236Specdb::NmrOneD28237Specdb::NmrOneD28238Specdb::NmrOneD28239Specdb::NmrOneD28240Specdb::NmrOneD28241Specdb::MsMs2325Specdb::MsMs2326Specdb::MsMs2327Specdb::MsMs301981Specdb::MsMs301982Specdb::MsMs301983Specdb::MsMs344599Specdb::MsMs344600Specdb::MsMs344601Specdb::MsMs449970Specdb::MsMs449971Specdb::MsMs449972Specdb::MsMs449973Specdb::MsMs449974Specdb::MsMs449975Specdb::MsMs2226650Specdb::MsMs2228054Specdb::MsMs2229014Specdb::MsMs2230450Specdb::MsMs2231452Specdb::MsMs2232731Specdb::MsMs2233883Specdb::MsMs2235073Specdb::MsMs2470833Specdb::MsMs2470834HMDB0354617814SA0#<Reference:0x00005556761581d8>#<Reference:0x0000555676158020>#<Reference:0x0000555676157e18>#<Reference:0x0000555676157c60>bitter