1.0 2010-04-08 22:05:30 UTC 2019-11-26 02:57:54 UTC FDB002745 Corymboside Isolated from Triticum aestivum (wheat) (as acyl derivs.). Corymboside is found in wheat and cereals and cereal products. 6-a-L-Arabinopyranosyl-8-b-D-galactopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 9CI 6-Arabinopyranosyl-8-galactopyranosyl-4',5,7-trihydroxyflavone 6-Arabinopyranosyl-8-galactopyranosylapigenin 6-Arabinosyl-8-galactosylapigenin C26H28O14 564.4921 564.147905604 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one 73543-87-0 OCC1OC(C(O)C(O)C1O)C1=C(O)C(C2OCC(O)C(O)C2O)=C(O)C2=C1OC(=CC2=O)C1=CC=C(O)C=C1 InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2 OVMFOVNOXASTPA-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. Flavonoid 8-C-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Benzene and substituted derivatives C-glycosyl compounds Chromones Dialkyl ethers Flavones Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides 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 7-hydroxyflavonoid Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran C-glycosyl compound Chromone Dialkyl ether Ether Flavone Flavonoid-8-c-glycoside Glycosyl compound Heteroaromatic compound 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 -0.81 ALOGPS logs -1.91 ALOGPS solubility 6.94e+00 g/l ALOGPS logp -2.2 ChemAxon pka_strongest_acidic 5.76 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one ChemAxon average_mass 564.4921 ChemAxon mono_mass 564.147905604 ChemAxon smiles OCC1OC(C(O)C(O)C1O)C1=C(O)C(C2OCC(O)C(O)C2O)=C(O)C2=C1OC(=CC2=O)C1=CC=C(O)C=C1 ChemAxon formula C26H28O14 ChemAxon inchi InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2 ChemAxon inchikey OVMFOVNOXASTPA-UHFFFAOYSA-N ChemAxon polar_surface_area 247.06 ChemAxon refractivity 133.19 ChemAxon polarizability 54.32 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 14 ChemAxon donor_count 10 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 162189 Specdb::NmrOneD 162190 Specdb::NmrOneD 162191 Specdb::NmrOneD 162192 Specdb::NmrOneD 162193 Specdb::NmrOneD 162194 Specdb::NmrOneD 162195 Specdb::NmrOneD 162196 Specdb::NmrOneD 162197 Specdb::NmrOneD 162198 Specdb::NmrOneD 162199 Specdb::NmrOneD 162200 Specdb::NmrOneD 162201 Specdb::NmrOneD 162202 Specdb::NmrOneD 162203 Specdb::NmrOneD 162204 Specdb::NmrOneD 162205 Specdb::NmrOneD 162206 Specdb::NmrOneD 162207 Specdb::NmrOneD 162208 Specdb::CMs 14450 Specdb::CMs 42174 Specdb::CMs 282072 Specdb::CMs 353795 Specdb::CMs 353796 Specdb::CMs 353797 Specdb::CMs 353798 Specdb::CMs 353799 Specdb::CMs 353800 Specdb::CMs 353801 Specdb::CMs 353802 Specdb::CMs 353803 Specdb::CMs 353804 Specdb::CMs 353805 Specdb::CMs 353806 Specdb::CMs 353807 Specdb::CMs 353808 Specdb::CMs 353809 Specdb::CMs 353810 Specdb::CMs 353811 Specdb::CMs 353812 Specdb::CMs 353813 Specdb::CMs 353814 Specdb::CMs 353815 Specdb::MsMs 51111 Specdb::MsMs 51112 Specdb::MsMs 51113 Specdb::MsMs 139047 Specdb::MsMs 139048 Specdb::MsMs 139049 Specdb::MsMs 440547 Specdb::MsMs 452250 Specdb::MsMs 2227187 Specdb::MsMs 2227502 Specdb::MsMs 2229541 Specdb::MsMs 2229958 Specdb::MsMs 2231812 Specdb::MsMs 2232361 Specdb::MsMs 2234251 Specdb::MsMs 2234707 Specdb::MsMs 3041626 Specdb::MsMs 3041627 Specdb::MsMs 3041628 Specdb::MsMs 3098146 Specdb::MsMs 3098147 Specdb::MsMs 3098148 HMDB30803 #<Reference:0x000055ce31ef7ef0> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Wheat Type 1 specific Triticum 4564