1.0 2010-04-08 22:12:29 UTC 2019-11-26 03:13:24 UTC FDB016528 Spinosin C Isolated from Zizyphus jujuba (Chinese date). Spinosin C is found in fruits. Spinosin 6'''-(E)-p-coumarate Spinosin C Swertisin 6'''-O-p-coumaroyl 2''-O-glucoside C37H38O17 754.6874 754.21089979 [6-({4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-6-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate [6-({4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 77690-93-8 COC1=CC2=C(C(=O)C=C(O2)C2=CC=C(O)C=C2)C(O)=C1C1OC(CO)C(O)C(O)C1OC1OC(COC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C37H38O17/c1-49-22-13-23-27(20(41)12-21(51-23)17-5-9-19(40)10-6-17)31(45)28(22)35-36(33(47)29(43)24(14-38)52-35)54-37-34(48)32(46)30(44)25(53-37)15-50-26(42)11-4-16-2-7-18(39)8-3-16/h2-13,24-25,29-30,32-40,43-48H,14-15H2,1H3/b11-4+ GIFDFLYIKYFTAD-NYYWCZLTSA-N belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Flavonoid C-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-O-methylated flavonoids Acetals Alkyl aryl ethers Anisoles C-glycosyl compounds Carbonyl compounds Chromones Cinnamic acid esters Coumaric acids and derivatives Dialkyl ethers Disaccharides Enoate esters Fatty acid esters Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Styrenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-methoxyflavonoid-skeleton Acetal Alcohol Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran C-glycosyl compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid or derivatives Dialkyl ether Disaccharide Enoate ester Ether Fatty acid ester Fatty acyl Flavone Flavonoid c-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxycinnamic acid or derivatives Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Styrene Vinylogous acid logp 1.37 ALOGPS logs -3.28 ALOGPS solubility 3.94e-01 g/l ALOGPS logp 1.05 ChemAxon pka_strongest_acidic 8.02 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac [6-({4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-6-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 754.6874 ChemAxon mono_mass 754.21089979 ChemAxon smiles COC1=CC2=C(C(=O)C=C(O2)C2=CC=C(O)C=C2)C(O)=C1C1OC(CO)C(O)C(O)C1OC1OC(COC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C37H38O17 ChemAxon inchi InChI=1S/C37H38O17/c1-49-22-13-23-27(20(41)12-21(51-23)17-5-9-19(40)10-6-17)31(45)28(22)35-36(33(47)29(43)24(14-38)52-35)54-37-34(48)32(46)30(44)25(53-37)15-50-26(42)11-4-16-2-7-18(39)8-3-16/h2-13,24-25,29-30,32-40,43-48H,14-15H2,1H3/b11-4+ ChemAxon inchikey GIFDFLYIKYFTAD-NYYWCZLTSA-N ChemAxon polar_surface_area 271.59 ChemAxon refractivity 184.48 ChemAxon polarizability 74.95 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 16 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 67107 Specdb::MsMs 67108 Specdb::MsMs 67109 Specdb::MsMs 124842 Specdb::MsMs 124843 Specdb::MsMs 124844 Specdb::MsMs 2744010 Specdb::MsMs 2744011 Specdb::MsMs 2744012 Specdb::MsMs 2934645 Specdb::MsMs 2934646 Specdb::CMs 779321 Specdb::CMs 779322 Specdb::CMs 779323 Specdb::CMs 779324 Specdb::CMs 779325 Specdb::CMs 779326 Specdb::CMs 779327 Specdb::CMs 779328 Specdb::CMs 779329 Specdb::CMs 779330 Specdb::CMs 779331 Specdb::CMs 779332 Specdb::CMs 779333 Specdb::CMs 779334 Specdb::CMs 779335 Specdb::CMs 779336 Specdb::CMs 779337 Specdb::CMs 779338 Specdb::CMs 779339 Specdb::CMs 779340 Specdb::CMs 779341 Specdb::CMs 779342 Specdb::CMs 779343 Specdb::CMs 779344 Specdb::CMs 779345 HMDB37463 #<Reference:0x000055ce32130c08> Fruits Unknown generic