1.0 2010-04-08 22:14:02 UTC 2025-11-19 02:15:48 UTC FDB018937 6''-Acetylhyperin 7-rhamnoside Isolated from broad bean (Vicia faba) leaves. 6''-Acetylhyperin 7-rhamnoside is found in pulses and broad bean. 6''-Acetylhyperin 7-rhamnoside Quercetin 3-(6''-acetylgalactoside)-7-rhamnoside Quercetin 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside C29H32O17 652.5542 652.163949598 (6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate (6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate 124027-51-6 CC1OC(OC2=CC(O)=C3C(OC(C4=CC(O)=C(O)C=C4)=C(OC4OC(COC(C)=O)C(O)C(O)C4O)C3=O)=C2)C(O)C(O)C1O InChI=1S/C29H32O17/c1-9-19(34)22(37)24(39)28(42-9)43-12-6-15(33)18-16(7-12)44-26(11-3-4-13(31)14(32)5-11)27(21(18)36)46-29-25(40)23(38)20(35)17(45-29)8-41-10(2)30/h3-7,9,17,19-20,22-25,28-29,31-35,37-40H,8H2,1-2H3 QBFLREGYLMFMCL-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 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Catechols Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-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 Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.42 ALOGPS logs -2.55 ALOGPS solubility 1.84e+00 g/l ALOGPS logp -0.92 ChemAxon pka_strongest_acidic 8.11 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate ChemAxon average_mass 652.5542 ChemAxon mono_mass 652.163949598 ChemAxon smiles CC1OC(OC2=CC(O)=C3C(OC(C4=CC(O)=C(O)C=C4)=C(OC4OC(COC(C)=O)C(O)C(O)C4O)C3=O)=C2)C(O)C(O)C1O ChemAxon formula C29H32O17 ChemAxon inchi InChI=1S/C29H32O17/c1-9-19(34)22(37)24(39)28(42-9)43-12-6-15(33)18-16(7-12)44-26(11-3-4-13(31)14(32)5-11)27(21(18)36)46-29-25(40)23(38)20(35)17(45-29)8-41-10(2)30/h3-7,9,17,19-20,22-25,28-29,31-35,37-40H,8H2,1-2H3 ChemAxon inchikey QBFLREGYLMFMCL-UHFFFAOYSA-N ChemAxon polar_surface_area 271.59 ChemAxon refractivity 149.03 ChemAxon polarizability 62.59 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 16 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 645161 Specdb::CMs 645162 Specdb::CMs 645163 Specdb::CMs 645164 Specdb::CMs 645165 Specdb::CMs 645166 Specdb::CMs 645167 Specdb::CMs 645168 Specdb::CMs 645169 Specdb::CMs 645170 Specdb::CMs 645171 Specdb::CMs 645172 Specdb::CMs 645173 Specdb::CMs 645174 Specdb::CMs 645175 Specdb::CMs 645176 Specdb::CMs 645177 Specdb::CMs 645178 Specdb::CMs 645179 Specdb::CMs 645180 Specdb::CMs 645181 Specdb::CMs 645182 Specdb::CMs 645183 Specdb::CMs 645184 Specdb::CMs 645185 Specdb::NmrOneD 32562 Specdb::NmrOneD 32563 Specdb::NmrOneD 32564 Specdb::NmrOneD 32565 Specdb::NmrOneD 32566 Specdb::NmrOneD 32567 Specdb::NmrOneD 32568 Specdb::NmrOneD 32569 Specdb::NmrOneD 32570 Specdb::NmrOneD 32571 Specdb::NmrOneD 32572 Specdb::NmrOneD 32573 Specdb::NmrOneD 32574 Specdb::NmrOneD 32575 Specdb::NmrOneD 32576 Specdb::NmrOneD 32577 Specdb::NmrOneD 32578 Specdb::NmrOneD 32579 Specdb::NmrOneD 32580 Specdb::NmrOneD 32581 Specdb::MsMs 64008 Specdb::MsMs 64009 Specdb::MsMs 64010 Specdb::MsMs 121059 Specdb::MsMs 121060 Specdb::MsMs 121061 Specdb::MsMs 2333078 Specdb::MsMs 2333079 Specdb::MsMs 2333080 Specdb::MsMs 2633420 Specdb::MsMs 2633421 Specdb::MsMs 2633422 HMDB39374 #<Reference:0x000055ce33111ed8> Broad bean Type 1 specific Vicia faba 3906 6.3 6.300000072 6.300000072 mg/100 g Pulses Unknown generic