1.02010-04-08 22:12:27 UTC2019-11-26 03:13:17 UTCFDB016465Molludistin 2''-rhamnosideIsolated from Gnetum africanum and Avena sativa (oats). Molludistin 2''-rhamnoside is found in oat, cereals and cereal products, and green vegetables.7-Methylmollupentin 2''-O-a-L-rhamnopyranosideMolludistin 2''-O-a-L-rhamnopyranosideMolludistin 2''-O-rhamnosideMolludistin 2''-rhamnosideC27H30O13562.5193562.1686410468-{4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one8-{4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one66274-23-5COC1=CC(O)=C2C(=O)C=C(OC2=C1C1OCC(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C1=CC=C(O)C=C1InChI=1S/C27H30O13/c1-10-20(32)22(34)23(35)27(38-10)40-26-21(33)15(31)9-37-25(26)19-17(36-2)8-14(30)18-13(29)7-16(39-24(18)19)11-3-5-12(28)6-4-11/h3-8,10,15,20-23,25-28,30-35H,9H2,1-2H3JNFIIHAPWGTZJC-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone.Flavonoid 8-C-glycosidesOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsFlavonoid glycosidesAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoids7-O-methylated flavonoidsAcetalsAlkyl aryl ethersAnisolesBenzene and substituted derivativesChromonesDialkyl ethersDisaccharidesFlavonesHeteroaromatic compoundsHydrocarbon derivativesO-glycosyl compoundsOrganic oxidesOxacyclic compoundsOxanesPhenolic glycosidesPolyolsPyranones and derivativesSecondary alcoholsVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid4'-hydroxyflavonoid5-hydroxyflavonoid7-methoxyflavonoid-skeletonAcetalAlcoholAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranChromoneDialkyl etherDisaccharideEtherFlavoneFlavonoid-8-c-glycosideGlycosyl compoundHeteroaromatic compoundHydrocarbon derivativeHydroxyflavonoidMonocyclic benzene moietyO-glycosyl compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePhenolPhenolic glycosidePolyolPyranPyranoneSecondary alcoholVinylogous acidlogp0.24logs-2.59solubility1.43e+00 g/llogp0.0017pka_strongest_acidic8.3pka_strongest_basic-3.5iupac8-{4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-oneaverage_mass562.5193mono_mass562.168641046smilesCOC1=CC(O)=C2C(=O)C=C(OC2=C1C1OCC(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C1=CC=C(O)C=C1formulaC27H30O13inchiInChI=1S/C27H30O13/c1-10-20(32)22(34)23(35)27(38-10)40-26-21(33)15(31)9-37-25(26)19-17(36-2)8-14(30)18-13(29)7-16(39-24(18)19)11-3-5-12(28)6-4-11/h3-8,10,15,20-23,25-28,30-35H,9H2,1-2H3inchikeyJNFIIHAPWGTZJC-UHFFFAOYSA-Npolar_surface_area204.83refractivity135.42polarizability55.17rotatable_bond_count5acceptor_count13donor_count7physiological_charge0formal_charge0Specdb::CMs25433Specdb::CMs45375Specdb::CMs282018Specdb::CMs348330Specdb::CMs348331Specdb::CMs348332Specdb::CMs348333Specdb::CMs348334Specdb::CMs348335Specdb::CMs348336Specdb::CMs348337Specdb::CMs348338Specdb::CMs348339Specdb::CMs348340Specdb::CMs348341Specdb::CMs348342Specdb::CMs348343Specdb::CMs348344Specdb::CMs348345Specdb::CMs348346Specdb::CMs348347Specdb::CMs348348Specdb::CMs348349Specdb::CMs348350Specdb::CMs348351Specdb::MsMs108621Specdb::MsMs108622Specdb::MsMs108623Specdb::MsMs175887Specdb::MsMs175888Specdb::MsMs175889Specdb::MsMs2736806Specdb::MsMs2736807Specdb::MsMs2736808Specdb::MsMs2969457Specdb::MsMs2969458HMDB37418#<Reference:0x0000555675f4d7a8>Breakfast cerealType 2specificCereals and cereal productsUnknowngenericGreen vegetablesUnknowngenericOatType 1specificAvena sativa4498