1.0 2010-04-08 22:14:55 UTC 2019-11-26 03:18:43 UTC FDB020274 6-Methoxyluteolin 3'-glucoside Constituent of rosemary Rosmarinus officinalis. 6-Methoxyluteolin 3'-glucoside is found in herbs and spices. ??3',4',5,7-Tetrahydroxy-6-methoxyflavone 3'-O-b-D-glucopyranoside 6-Methoxyluteolin 3'-glucoside 6-Methoxyluteolin 3'-O-b-D-glucopyranoside 6-Methoxyluteolin 3'-O-b-D-glucoside 6-Methoxyluteolin 3'-O-glucoside C22H22O12 478.4029 478.111126168 5,7-dihydroxy-2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-methoxy-4H-chromen-4-one 5,7-dihydroxy-2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-methoxychromen-4-one 112208-84-1 COC1=C(O)C2=C(OC(=CC2=O)C2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O)C=C2)C=C1O InChI=1S/C22H22O12/c1-31-21-11(26)6-14-16(18(21)28)10(25)5-12(32-14)8-2-3-9(24)13(4-8)33-22-20(30)19(29)17(27)15(7-23)34-22/h2-6,15,17,19-20,22-24,26-30H,7H2,1H3 VYKCLUAGIMQEER-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Flavonoid O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 6-O-methylated flavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Chromones Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives 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 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 6-methoxyflavonoid-skeleton 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Flavonoid o-glycoside Flavonoid-3p-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide 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 0.68 ALOGPS logs -2.71 ALOGPS solubility 9.29e-01 g/l ALOGPS logp -0.023 ChemAxon pka_strongest_acidic 7.15 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5,7-dihydroxy-2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-methoxy-4H-chromen-4-one ChemAxon average_mass 478.4029 ChemAxon mono_mass 478.111126168 ChemAxon smiles COC1=C(O)C2=C(OC(=CC2=O)C2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O)C=C2)C=C1O ChemAxon formula C22H22O12 ChemAxon inchi InChI=1S/C22H22O12/c1-31-21-11(26)6-14-16(18(21)28)10(25)5-12(32-14)8-2-3-9(24)13(4-8)33-22-20(30)19(29)17(27)15(7-23)34-22/h2-6,15,17,19-20,22-24,26-30H,7H2,1H3 ChemAxon inchikey VYKCLUAGIMQEER-UHFFFAOYSA-N ChemAxon polar_surface_area 195.6 ChemAxon refractivity 113.5 ChemAxon polarizability 46.09 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19835 Specdb::CMs 46806 Specdb::CMs 151256 Specdb::CMs 161487 Specdb::CMs 161489 Specdb::CMs 161490 Specdb::CMs 161492 Specdb::CMs 280346 Specdb::MsMs 310183 Specdb::MsMs 310184 Specdb::MsMs 310185 Specdb::MsMs 354808 Specdb::MsMs 354809 Specdb::MsMs 354810 Specdb::MsMs 3046339 Specdb::MsMs 3046340 Specdb::MsMs 3046341 Specdb::MsMs 3094243 Specdb::MsMs 3094244 Specdb::MsMs 3094245 Specdb::NmrOneD 40982 Specdb::NmrOneD 40983 Specdb::NmrOneD 40984 Specdb::NmrOneD 40985 Specdb::NmrOneD 40986 Specdb::NmrOneD 40987 Specdb::NmrOneD 40988 Specdb::NmrOneD 40989 Specdb::NmrOneD 40990 Specdb::NmrOneD 40991 Specdb::NmrOneD 40992 Specdb::NmrOneD 40993 Specdb::NmrOneD 40994 Specdb::NmrOneD 40995 Specdb::NmrOneD 40996 Specdb::NmrOneD 40997 Specdb::NmrOneD 40998 Specdb::NmrOneD 40999 Specdb::NmrOneD 41000 Specdb::NmrOneD 41001 HMDB40509 #<Reference:0x000055ce318c2008> Herbs and Spices Unknown generic