1.0 2010-04-08 22:12:24 UTC 2025-11-19 01:46:40 UTC FDB016379 Quercetin 3-arabinoside 7-glucoside Isolated from Phytolacca americana (pokeberry). Quercetin 3-arabinoside 7-glucoside is found in fruits, green vegetables, and american pokeweed. Quercetin 3-alpha-L-arabionopyranoside-7-glucoside C26H28O16 596.4909 596.137734848 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-4H-chromen-4-one 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]chromen-4-one 28452-84-8 OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OCC(O)C(O)C4O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O InChI=1S/C26H28O16/c27-6-15-18(33)20(35)22(37)26(41-15)39-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-25-21(36)17(32)13(31)7-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2 QOTHERNBBVJOEC-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 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Benzene and substituted derivatives Catechols 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 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone 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 -0.58 ALOGPS logs -2.24 ALOGPS solubility 3.46e+00 g/l ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 8.11 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 596.4909 ChemAxon mono_mass 596.137734848 ChemAxon smiles OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OCC(O)C(O)C4O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C26H28O16 ChemAxon inchi InChI=1S/C26H28O16/c27-6-15-18(33)20(35)22(37)26(41-15)39-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-25-21(36)17(32)13(31)7-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2 ChemAxon inchikey QOTHERNBBVJOEC-UHFFFAOYSA-N ChemAxon polar_surface_area 265.52 ChemAxon refractivity 135.46 ChemAxon polarizability 56.03 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 16 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 64494 Specdb::MsMs 64495 Specdb::MsMs 64496 Specdb::MsMs 121662 Specdb::MsMs 121663 Specdb::MsMs 121664 Specdb::MsMs 2286721 Specdb::MsMs 2286722 Specdb::MsMs 2286723 Specdb::MsMs 3082485 Specdb::MsMs 3082486 Specdb::MsMs 3082487 Specdb::NmrOneD 140190 Specdb::NmrOneD 140191 Specdb::NmrOneD 140192 Specdb::NmrOneD 140193 Specdb::NmrOneD 140194 Specdb::NmrOneD 140195 Specdb::NmrOneD 140196 Specdb::NmrOneD 140197 Specdb::NmrOneD 140198 Specdb::NmrOneD 140199 Specdb::NmrOneD 140200 Specdb::NmrOneD 140201 Specdb::NmrOneD 140202 Specdb::NmrOneD 140203 Specdb::NmrOneD 140204 Specdb::NmrOneD 140205 Specdb::NmrOneD 140206 Specdb::NmrOneD 140207 Specdb::NmrOneD 140208 Specdb::NmrOneD 140209 Specdb::CMs 18309 Specdb::CMs 45339 Specdb::CMs 283056 Specdb::CMs 449578 Specdb::CMs 449579 Specdb::CMs 449580 Specdb::CMs 449581 Specdb::CMs 449582 Specdb::CMs 449583 Specdb::CMs 449584 Specdb::CMs 449585 Specdb::CMs 449586 Specdb::CMs 449587 Specdb::CMs 449588 Specdb::CMs 449589 Specdb::CMs 449590 Specdb::CMs 449591 Specdb::CMs 449592 Specdb::CMs 449593 Specdb::CMs 449594 Specdb::CMs 449595 Specdb::CMs 449596 Specdb::CMs 449597 Specdb::CMs 449598 Specdb::CMs 449599 HMDB37355 #<Reference:0x000055ce31624878> American pokeweed Type 1 specific Phytolacca americana 3527 Fruits Unknown generic Green vegetables Unknown generic