1.0 2010-04-08 22:12:27 UTC 2025-11-19 01:47:13 UTC FDB016463 Isoswertisin 4'-glucoside Isolated from wheat (Triticum aestivum). Isoswertisin 4'-glucoside is found in wheat, cereals and cereal products, and common wheat. 7-Methylvitexin 4'-O-b-D-glucopyranoside Isoswertisin 4'-glucoside Isoswertisin 4'-O-glucoside C28H32O15 608.5447 608.174120354 5-hydroxy-7-methoxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one 5-hydroxy-7-methoxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one 35480-14-9 COC1=CC(O)=C2C(=O)C=C(OC2=C1C1OC(CO)C(O)C(O)C1O)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1 InChI=1S/C28H32O15/c1-39-15-7-13(32)18-12(31)6-14(41-26(18)19(15)27-24(37)22(35)20(33)16(8-29)42-27)10-2-4-11(5-3-10)40-28-25(38)23(36)21(34)17(9-30)43-28/h2-7,16-17,20-25,27-30,32-38H,8-9H2,1H3 ZCDDNVDFOHBRBE-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-O-methylated flavonoids Acetals Alkyl aryl ethers Anisoles Benzene and substituted derivatives Chromones Dialkyl ethers Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-methoxyflavonoid-skeleton Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Dialkyl ether Disaccharide Ether Flavone Flavonoid-8-c-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.61 ALOGPS logs -2.51 ALOGPS solubility 1.89e+00 g/l ALOGPS logp -2.2 ChemAxon pka_strongest_acidic 8.51 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-hydroxy-7-methoxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one ChemAxon average_mass 608.5447 ChemAxon mono_mass 608.174120354 ChemAxon smiles COC1=CC(O)=C2C(=O)C=C(OC2=C1C1OC(CO)C(O)C(O)C1O)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1 ChemAxon formula C28H32O15 ChemAxon inchi InChI=1S/C28H32O15/c1-39-15-7-13(32)18-12(31)6-14(41-26(18)19(15)27-24(37)22(35)20(33)16(8-29)42-27)10-2-4-11(5-3-10)40-28-25(38)23(36)21(34)17(9-30)43-28/h2-7,16-17,20-25,27-30,32-38H,8-9H2,1H3 ChemAxon inchikey ZCDDNVDFOHBRBE-UHFFFAOYSA-N ChemAxon polar_surface_area 245.29 ChemAxon refractivity 142.66 ChemAxon polarizability 59.39 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 493524 Specdb::CMs 493525 Specdb::CMs 493526 Specdb::CMs 493527 Specdb::CMs 493528 Specdb::CMs 493529 Specdb::CMs 493530 Specdb::CMs 493531 Specdb::CMs 493532 Specdb::CMs 493533 Specdb::CMs 493534 Specdb::CMs 493535 Specdb::CMs 493536 Specdb::CMs 493537 Specdb::CMs 493538 Specdb::CMs 493539 Specdb::CMs 493540 Specdb::CMs 493541 Specdb::CMs 493542 Specdb::CMs 493543 Specdb::CMs 493544 Specdb::CMs 493545 Specdb::CMs 493546 Specdb::CMs 493547 Specdb::CMs 493548 Specdb::MsMs 90696 Specdb::MsMs 90697 Specdb::MsMs 90698 Specdb::MsMs 153915 Specdb::MsMs 153916 Specdb::MsMs 153917 Specdb::MsMs 2363954 Specdb::MsMs 2363955 Specdb::MsMs 2602013 Specdb::MsMs 2602014 Specdb::MsMs 2602015 Specdb::NmrOneD 140710 Specdb::NmrOneD 140711 Specdb::NmrOneD 140712 Specdb::NmrOneD 140713 Specdb::NmrOneD 140714 Specdb::NmrOneD 140715 Specdb::NmrOneD 140716 Specdb::NmrOneD 140717 Specdb::NmrOneD 140718 Specdb::NmrOneD 140719 Specdb::NmrOneD 140720 Specdb::NmrOneD 140721 Specdb::NmrOneD 140722 Specdb::NmrOneD 140723 Specdb::NmrOneD 140724 Specdb::NmrOneD 140725 Specdb::NmrOneD 140726 Specdb::NmrOneD 140727 Specdb::NmrOneD 140728 Specdb::NmrOneD 140729 HMDB37416 #<Reference:0x000055ce317964e0> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Common wheat Type 1 specific Triticum aestivum 4565 Wheat Type 1 specific Triticum 4564