1.0 2010-04-08 22:13:35 UTC 2025-11-19 02:10:25 UTC FDB018239 Scoparin 2''-glucoside Isolated from Setaria italica (foxtail millet). Scoparin 2''-glucoside is found in cereals and cereal products. Scoparin 2''-glucoside Scoparin 2''-O-glucoside C28H32O16 624.5441 624.169034976 8-[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one 8-[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one 124902-15-4 COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)=C(O)C=C2O InChI=1S/C28H32O16/c1-40-15-4-9(2-3-10(15)31)14-6-13(34)18-11(32)5-12(33)19(25(18)41-14)26-27(23(38)21(36)16(7-29)42-26)44-28-24(39)22(37)20(35)17(8-30)43-28/h2-6,16-17,20-24,26-33,35-39H,7-8H2,1H3 CUIBWAIUPCYNQR-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 3'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles C-glycosyl compounds Chromones Dialkyl ethers Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran C-glycosyl compound Chromone Dialkyl ether Disaccharide Ether Flavone Flavonoid-8-c-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.63 ALOGPS logs -2.06 ALOGPS solubility 5.43e+00 g/l ALOGPS logp -2 ChemAxon pka_strongest_acidic 6.2 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 8-[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one ChemAxon average_mass 624.5441 ChemAxon mono_mass 624.169034976 ChemAxon smiles COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)=C(O)C=C2O ChemAxon formula C28H32O16 ChemAxon inchi InChI=1S/C28H32O16/c1-40-15-4-9(2-3-10(15)31)14-6-13(34)18-11(32)5-12(33)19(25(18)41-14)26-27(23(38)21(36)16(7-29)42-26)44-28-24(39)22(37)20(35)17(8-30)43-28/h2-6,16-17,20-24,26-33,35-39H,7-8H2,1H3 ChemAxon inchikey CUIBWAIUPCYNQR-UHFFFAOYSA-N ChemAxon polar_surface_area 265.52 ChemAxon refractivity 144.91 ChemAxon polarizability 59.77 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 10 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12719 Specdb::MsMs 12720 Specdb::MsMs 12721 Specdb::MsMs 19391 Specdb::MsMs 19392 Specdb::MsMs 19393 Specdb::MsMs 2727736 Specdb::MsMs 2727737 Specdb::MsMs 2727738 Specdb::MsMs 2978552 Specdb::MsMs 2978553 Specdb::MsMs 2978554 Specdb::CMs 11149 Specdb::CMs 46075 Specdb::CMs 558827 Specdb::CMs 558828 Specdb::CMs 558829 Specdb::CMs 558830 Specdb::CMs 558831 Specdb::CMs 558832 Specdb::CMs 558833 Specdb::CMs 558834 Specdb::CMs 558835 Specdb::CMs 558836 Specdb::CMs 558837 Specdb::CMs 558838 Specdb::CMs 558839 Specdb::CMs 558840 Specdb::CMs 558841 Specdb::CMs 558842 Specdb::CMs 558843 Specdb::CMs 558844 Specdb::CMs 558845 Specdb::CMs 558846 Specdb::CMs 558847 Specdb::CMs 558848 Specdb::CMs 558849 Specdb::NmrOneD 29382 Specdb::NmrOneD 29383 Specdb::NmrOneD 29384 Specdb::NmrOneD 29385 Specdb::NmrOneD 29386 Specdb::NmrOneD 29387 Specdb::NmrOneD 29388 Specdb::NmrOneD 29389 Specdb::NmrOneD 29390 Specdb::NmrOneD 29391 Specdb::NmrOneD 29392 Specdb::NmrOneD 29393 Specdb::NmrOneD 29394 Specdb::NmrOneD 29395 Specdb::NmrOneD 29396 Specdb::NmrOneD 29397 Specdb::NmrOneD 29398 Specdb::NmrOneD 29399 Specdb::NmrOneD 29400 Specdb::NmrOneD 29401 HMDB38813 #<Reference:0x000055ce33373280> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic