1.02010-04-08 22:13:48 UTC2019-11-26 03:16:22 UTCFDB018589Sudachiin BIsolated from the green peel of Citrus sudachi. Sudachiin B is found in citrus.5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 4'-[6''-(3-hydroxy-3-methylglutaryl)glucoside]Sudachiin BC30H34O17666.5808666.179599662{6-[4-(5,7-dihydroxy-6,8-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 4-(formyloxy)-3-hydroxy-3-methylbutanoate{6-[4-(5,7-dihydroxy-6,8-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 4-(formyloxy)-3-hydroxy-3-methylbutanoate98891-96-4COC1=C(OC2OC(COC(=O)CC(C)(O)COC=O)C(O)C(O)C2O)C=CC(=C1)C1=CC(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1InChI=1S/C30H34O17/c1-30(39,11-43-12-31)9-19(33)44-10-18-21(34)23(36)24(37)29(47-18)46-15-6-5-13(7-17(15)40-2)16-8-14(32)20-22(35)27(41-3)25(38)28(42-4)26(20)45-16/h5-8,12,18,21,23-24,29,34-39H,9-11H2,1-4H3PXSCZWOHLUQPMV-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.Flavonoid O-glycosidesOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsFlavonoid glycosidesAromatic heteropolycyclic compounds3'-O-methylated flavonoids5-hydroxyflavonoids6-O-methylated flavonoids7-hydroxyflavonoids8-O-methylated flavonoidsAcetalsAlkyl aryl ethersAnisolesCarbonyl compoundsCarboxylic acid estersChromonesDicarboxylic acids and derivativesFatty acid estersFlavonesHeteroaromatic compoundsHydrocarbon derivativesMethoxybenzenesMonosaccharidesO-glycosyl compoundsOrganic oxidesOxacyclic compoundsOxanesPhenolic glycosidesPhenoxy compoundsPolyolsPyranones and derivativesSaccharolipidsSecondary alcoholsTertiary alcoholsVinylogous acids1-benzopyran3p-methoxyflavonoid-skeleton5-hydroxyflavonoid6-methoxyflavonoid-skeleton7-hydroxyflavonoid8-methoxyflavonoid-skeletonAcetalAlcoholAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterChromoneDicarboxylic acid or derivativesEtherFatty acid esterFatty acylFlavoneFlavonoid o-glycosideFlavonoid-4p-o-glycosideGlycosyl compoundHeteroaromatic compoundHydrocarbon derivativeHydroxyflavonoidMethoxybenzeneMonocyclic benzene moietyMonosaccharideO-glycosyl compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePhenol etherPhenolic glycosidePhenoxy compoundPolyolPyranPyranoneSaccharolipidSecondary alcoholTertiary alcoholVinylogous acidlogp1.32logs-3.36solubility2.89e-01 g/lmelting_pointMp 190-192°logp-0.13pka_strongest_acidic6.63pka_strongest_basic-3.2iupac{6-[4-(5,7-dihydroxy-6,8-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 4-(formyloxy)-3-hydroxy-3-methylbutanoateaverage_mass666.5808mono_mass666.179599662smilesCOC1=C(OC2OC(COC(=O)CC(C)(O)COC=O)C(O)C(O)C2O)C=CC(=C1)C1=CC(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1formulaC30H34O17inchiInChI=1S/C30H34O17/c1-30(39,11-43-12-31)9-19(33)44-10-18-21(34)23(36)24(37)29(47-18)46-15-6-5-13(7-17(15)40-2)16-8-14(32)20-22(35)27(41-3)25(38)28(42-4)26(20)45-16/h5-8,12,18,21,23-24,29,34-39H,9-11H2,1-4H3inchikeyPXSCZWOHLUQPMV-UHFFFAOYSA-Npolar_surface_area246.43refractivity155.26polarizability64.31rotatable_bond_count14acceptor_count15donor_count6physiological_charge-1formal_charge0Specdb::CMs17435Specdb::CMs693110Specdb::CMs693111Specdb::CMs693112Specdb::CMs693113Specdb::CMs693114Specdb::CMs693115Specdb::CMs693116Specdb::CMs693117Specdb::CMs693118Specdb::CMs693119Specdb::CMs693120Specdb::CMs693121Specdb::CMs693122Specdb::CMs693123Specdb::CMs693124Specdb::CMs693125Specdb::CMs693126Specdb::CMs693127Specdb::CMs693128Specdb::CMs693129Specdb::CMs693130Specdb::CMs693131Specdb::CMs693132Specdb::CMs693133Specdb::MsMs79584Specdb::MsMs79585Specdb::MsMs79586Specdb::MsMs140217Specdb::MsMs140218Specdb::MsMs140219Specdb::MsMs2338641Specdb::MsMs2338642Specdb::MsMs2338643Specdb::MsMs2623700Specdb::MsMs2623701Specdb::MsMs2623702Specdb::NmrOneD30982Specdb::NmrOneD30983Specdb::NmrOneD30984Specdb::NmrOneD30985Specdb::NmrOneD30986Specdb::NmrOneD30987Specdb::NmrOneD30988Specdb::NmrOneD30989Specdb::NmrOneD30990Specdb::NmrOneD30991Specdb::NmrOneD30992Specdb::NmrOneD30993Specdb::NmrOneD30994Specdb::NmrOneD30995Specdb::NmrOneD30996Specdb::NmrOneD30997Specdb::NmrOneD30998Specdb::NmrOneD30999Specdb::NmrOneD31000Specdb::NmrOneD31001HMDB39087#<Reference:0x0000555675ff2f28>CitrusUnknowngeneric