1.0 2010-04-08 22:13:35 UTC 2025-11-19 02:10:27 UTC FDB018245 Isoorientin 6''-diglucoside Isolated from wheat leaves (Triticum species). Isoorientin 6''-diglucoside is found in wheat and cereals and cereal products. Isoorientin 6''-diglucoside C21H20O11 448.3769 448.100561482 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 4261-42-1 OCC1OC(C(O)C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2 ODBRNZZJSYPIDI-UHFFFAOYSA-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 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Benzene and substituted derivatives C-glycosyl compounds Catechols Chromones Dialkyl ethers Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives 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 7-hydroxyflavonoid Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran C-glycosyl compound Catechol Chromone Dialkyl ether Ether Flavone Flavonoid c-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.39 ALOGPS logs -2.34 ALOGPS solubility 2.04e+00 g/l ALOGPS logp -0.35 ChemAxon pka_strongest_acidic 6.14 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one ChemAxon average_mass 448.3769 ChemAxon mono_mass 448.100561482 ChemAxon smiles OCC1OC(C(O)C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O ChemAxon formula C21H20O11 ChemAxon inchi InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2 ChemAxon inchikey ODBRNZZJSYPIDI-UHFFFAOYSA-N ChemAxon polar_surface_area 197.37 ChemAxon refractivity 108.01 ChemAxon polarizability 43.55 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 51135 Specdb::MsMs 51136 Specdb::MsMs 51137 Specdb::MsMs 131322 Specdb::MsMs 131323 Specdb::MsMs 131324 Specdb::MsMs 2228998 Specdb::MsMs 2229054 Specdb::MsMs 2230380 Specdb::MsMs 2230434 Specdb::MsMs 2231383 Specdb::MsMs 2232053 Specdb::MsMs 2232133 Specdb::MsMs 2232842 Specdb::MsMs 2233687 Specdb::MsMs 2233797 Specdb::MsMs 2235125 Specdb::MsMs 2235237 Specdb::MsMs 2235904 Specdb::MsMs 2236113 Specdb::MsMs 2236578 Specdb::MsMs 2236787 Specdb::MsMs 2237277 Specdb::MsMs 2237463 Specdb::MsMs 2238065 Specdb::CMs 52157 Specdb::CMs 64569 Specdb::CMs 120407 Specdb::CMs 125350 Specdb::CMs 136403 Specdb::CMs 144137 Specdb::CMs 156125 Specdb::CMs 156127 Specdb::CMs 280082 Specdb::CMs 917272 Specdb::CMs 917273 Specdb::CMs 917274 Specdb::CMs 917275 Specdb::CMs 917276 Specdb::CMs 917277 Specdb::CMs 917278 Specdb::CMs 917279 Specdb::CMs 917280 Specdb::CMs 917281 Specdb::CMs 917282 Specdb::CMs 917283 Specdb::CMs 917284 Specdb::CMs 917285 Specdb::CMs 917286 Specdb::CMs 917287 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Wheat Type 1 specific Triticum 4564