1.0 2010-04-08 22:14:45 UTC 2019-11-26 03:18:21 UTC FDB020030 3,3',4'-Trihydroxyflavone 3-O-[a-L-rhamnopyranosyl-(1->2)[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside] Constituent of redcurrant juice. 3,3',4'-Trihydroxyflavone 3-O-[a-L-rhamnopyranosyl-(1->2)[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside] is found in fruits. 3,3',4'-Trihydroxyflavone 3-O-[a-L-rhamnopyranosyl-(1->2)[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside] C33H40O18 724.6599 724.221464476 3-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one 3-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-2-(3,4-dihydroxyphenyl)chromen-4-one 95880-20-9 CC1OC(OCC2OC(OC3=C(OC4=CC=CC=C4C3=O)C3=CC(O)=C(O)C=C3)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O InChI=1S/C33H40O18/c1-11-19(36)23(40)26(43)31(46-11)45-10-18-22(39)25(42)30(51-32-27(44)24(41)20(37)12(2)47-32)33(49-18)50-29-21(38)14-5-3-4-6-17(14)48-28(29)13-7-8-15(34)16(35)9-13/h3-9,11-12,18-20,22-27,30-37,39-44H,10H2,1-2H3 ZOLZRMBQJLBHSS-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids Acetals Benzene and substituted derivatives Catechols Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Pyranones and derivatives Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Pyran Pyranone Secondary alcohol logp -0.06 ALOGPS logs -2.08 ALOGPS solubility 6.05e+00 g/l ALOGPS logp -1.6 ChemAxon pka_strongest_acidic 8.56 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 724.6599 ChemAxon mono_mass 724.221464476 ChemAxon smiles CC1OC(OCC2OC(OC3=C(OC4=CC=CC=C4C3=O)C3=CC(O)=C(O)C=C3)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C33H40O18 ChemAxon inchi InChI=1S/C33H40O18/c1-11-19(36)23(40)26(43)31(46-11)45-10-18-22(39)25(42)30(51-32-27(44)24(41)20(37)12(2)47-32)33(49-18)50-29-21(38)14-5-3-4-6-17(14)48-28(29)13-7-8-15(34)16(35)9-13/h3-9,11-12,18-20,22-27,30-37,39-44H,10H2,1-2H3 ChemAxon inchikey ZOLZRMBQJLBHSS-UHFFFAOYSA-N ChemAxon polar_surface_area 283.98 ChemAxon refractivity 167.05 ChemAxon polarizability 70.41 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 18 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 761911 Specdb::CMs 761912 Specdb::CMs 761913 Specdb::CMs 761914 Specdb::CMs 761915 Specdb::CMs 761916 Specdb::CMs 761917 Specdb::CMs 761918 Specdb::CMs 761919 Specdb::CMs 761920 Specdb::CMs 761921 Specdb::CMs 761922 Specdb::CMs 761923 Specdb::CMs 761924 Specdb::CMs 761925 Specdb::CMs 761926 Specdb::CMs 761927 Specdb::CMs 761928 Specdb::CMs 761929 Specdb::CMs 761930 Specdb::CMs 761931 Specdb::CMs 761932 Specdb::CMs 761933 Specdb::CMs 761934 Specdb::CMs 761935 Specdb::NmrOneD 39722 Specdb::NmrOneD 39723 Specdb::NmrOneD 39724 Specdb::NmrOneD 39725 Specdb::NmrOneD 39726 Specdb::NmrOneD 39727 Specdb::NmrOneD 39728 Specdb::NmrOneD 39729 Specdb::NmrOneD 39730 Specdb::NmrOneD 39731 Specdb::NmrOneD 39732 Specdb::NmrOneD 39733 Specdb::NmrOneD 39734 Specdb::NmrOneD 39735 Specdb::NmrOneD 39736 Specdb::NmrOneD 39737 Specdb::NmrOneD 39738 Specdb::NmrOneD 39739 Specdb::NmrOneD 39740 Specdb::NmrOneD 39741 Specdb::MsMs 308614 Specdb::MsMs 308615 Specdb::MsMs 308616 Specdb::MsMs 352837 Specdb::MsMs 352838 Specdb::MsMs 352839 Specdb::MsMs 2396931 Specdb::MsMs 2396932 Specdb::MsMs 2396933 Specdb::MsMs 2542259 Specdb::MsMs 2542260 Specdb::MsMs 2542261 HMDB40307 #<Reference:0x000055ce2d03e700> Fruits Unknown generic