1.0 2010-04-08 22:12:28 UTC 2025-11-19 01:47:31 UTC FDB016501 Sexangularetin 3-glucoside 7-rhamnoside Isolated from Gossypium hirsutum (cottonseed). Sexangularetin 3-glucoside 7-rhamnoside is found in fats and oils. 3,4',5,7-Tetrahydroxy-8-methoxyflavone 3-glucoside 7-rhamnoside 3,4',5,7-Tetrahydroxy-8-methoxyflavone 3-O-b-D-glucopyranoside 7-O-a-L-rhamnopyranoside Sexangularetin 3-glucoside 7-rhamnoside C28H32O16 624.5441 624.169034976 5-hydroxy-2-(4-hydroxyphenyl)-8-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one 5-hydroxy-2-(4-hydroxyphenyl)-8-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one 47850-51-1 COC1=C(OC2OC(C)C(O)C(O)C2O)C=C(O)C2=C1OC(C1=CC=C(O)C=C1)=C(OC1OC(CO)C(O)C(O)C1O)C2=O InChI=1S/C28H32O16/c1-9-16(32)19(35)21(37)27(40-9)41-13-7-12(31)15-18(34)26(44-28-22(38)20(36)17(33)14(8-29)42-28)23(43-25(15)24(13)39-2)10-3-5-11(30)6-4-10/h3-7,9,14,16-17,19-22,27-33,35-38H,8H2,1-2H3 LSHYTUQCUQMUJP-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 8-O-methylated flavonoids Acetals Alkyl aryl ethers Anisoles Benzene and substituted derivatives Chromones Flavones Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 8-methoxyflavonoid-skeleton Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Flavonoid-3-o-glycoside Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.12 ALOGPS logs -2.37 ALOGPS solubility 2.67e+00 g/l ALOGPS melting_point Mp 184-186° logp -1.2 ChemAxon pka_strongest_acidic 8.35 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5-hydroxy-2-(4-hydroxyphenyl)-8-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 624.5441 ChemAxon mono_mass 624.169034976 ChemAxon smiles COC1=C(OC2OC(C)C(O)C(O)C2O)C=C(O)C2=C1OC(C1=CC=C(O)C=C1)=C(OC1OC(CO)C(O)C(O)C1O)C2=O ChemAxon formula C28H32O16 ChemAxon inchi InChI=1S/C28H32O16/c1-9-16(32)19(35)21(37)27(40-9)41-13-7-12(31)15-18(34)26(44-28-22(38)20(36)17(33)14(8-29)42-28)23(43-25(15)24(13)39-2)10-3-5-11(30)6-4-10/h3-7,9,14,16-17,19-22,27-33,35-38H,8H2,1-2H3 ChemAxon inchikey LSHYTUQCUQMUJP-UHFFFAOYSA-N ChemAxon polar_surface_area 254.52 ChemAxon refractivity 144.36 ChemAxon polarizability 60.3 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 48819 Specdb::MsMs 48820 Specdb::MsMs 48821 Specdb::MsMs 132987 Specdb::MsMs 132988 Specdb::MsMs 132989 Specdb::MsMs 2355663 Specdb::MsMs 2355664 Specdb::MsMs 2355665 Specdb::MsMs 2606944 Specdb::MsMs 2606945 Specdb::MsMs 2606946 Specdb::NmrOneD 140950 Specdb::NmrOneD 140951 Specdb::NmrOneD 140952 Specdb::NmrOneD 140953 Specdb::NmrOneD 140954 Specdb::NmrOneD 140955 Specdb::NmrOneD 140956 Specdb::NmrOneD 140957 Specdb::NmrOneD 140958 Specdb::NmrOneD 140959 Specdb::NmrOneD 140960 Specdb::NmrOneD 140961 Specdb::NmrOneD 140962 Specdb::NmrOneD 140963 Specdb::NmrOneD 140964 Specdb::NmrOneD 140965 Specdb::NmrOneD 140966 Specdb::NmrOneD 140967 Specdb::NmrOneD 140968 Specdb::NmrOneD 140969 Specdb::CMs 22118 Specdb::CMs 557997 Specdb::CMs 557998 Specdb::CMs 557999 Specdb::CMs 558000 Specdb::CMs 558001 Specdb::CMs 558002 Specdb::CMs 558003 Specdb::CMs 558004 Specdb::CMs 558005 Specdb::CMs 558006 Specdb::CMs 558007 Specdb::CMs 558008 Specdb::CMs 558009 Specdb::CMs 558010 Specdb::CMs 558011 Specdb::CMs 558012 Specdb::CMs 558013 Specdb::CMs 558014 Specdb::CMs 558015 Specdb::CMs 558016 Specdb::CMs 558017 Specdb::CMs 558018 Specdb::CMs 558019 Specdb::CMs 558020 HMDB37443 #<Reference:0x000055ce305260d0> Fats and oils Unknown generic