1.0 2010-04-08 22:11:45 UTC 2025-11-19 00:53:46 UTC FDB015279 2',7-Dihydroxy-4'-methoxy-8-prenylflavan 2',7-diglucoside Constituent of Morus alba (white mulberry). 2',7-Dihydroxy-4'-methoxy-8-prenylflavan 2',7-diglucoside is found in fruits. 2',7-Dihydroxy-4'-methoxy-8-prenylflavan 2',7-di-O-b-D-glucopyranoside 2',7-Dihydroxy-4'-methoxy-8-prenylflavan 2',7-di-O-b-D-glucoside 2',7-Dihydroxy-4'-methoxy-8-prenylflavan 2',7-diglucoside C33H44O14 664.6941 664.273106116 2-(hydroxymethyl)-6-{5-methoxy-2-[8-(3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-3,4,5-triol 2-(hydroxymethyl)-6-{5-methoxy-2-[8-(3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-3,4,5-triol COC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(C=C1)C1CCC2=C(O1)C(CC=C(C)C)=C(OC1OC(CO)C(O)C(O)C1O)C=C2 InChI=1S/C33H44O14/c1-15(2)4-8-19-21(44-32-29(40)27(38)25(36)23(13-34)46-32)11-6-16-5-10-20(43-31(16)19)18-9-7-17(42-3)12-22(18)45-33-30(41)28(39)26(37)24(14-35)47-33/h4,6-7,9,11-12,20,23-30,32-41H,5,8,10,13-14H2,1-3H3 OZZNZDSQQZCOEV-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-benzopyrans 4'-O-methylated flavonoids 8-prenylated flavans Acetals Alkyl aryl ethers Anisoles Hydrocarbon derivatives Methoxybenzenes Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols 1-benzopyran 4p-methoxyflavonoid-skeleton 8-prenylated flavan Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Ether Flavan Flavonoid-7-o-glycoside Glycosyl compound Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol logp 0.52 ALOGPS logs -3.07 ALOGPS solubility 5.60e-01 g/l ALOGPS logp 0.51 ChemAxon pka_strongest_acidic 11.9 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-{5-methoxy-2-[8-(3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-3,4,5-triol ChemAxon average_mass 664.6941 ChemAxon mono_mass 664.273106116 ChemAxon smiles COC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(C=C1)C1CCC2=C(O1)C(CC=C(C)C)=C(OC1OC(CO)C(O)C(O)C1O)C=C2 ChemAxon formula C33H44O14 ChemAxon inchi InChI=1S/C33H44O14/c1-15(2)4-8-19-21(44-32-29(40)27(38)25(36)23(13-34)46-32)11-6-16-5-10-20(43-31(16)19)18-9-7-17(42-3)12-22(18)45-33-30(41)28(39)26(37)24(14-35)47-33/h4,6-7,9,11-12,20,23-30,32-41H,5,8,10,13-14H2,1-3H3 ChemAxon inchikey OZZNZDSQQZCOEV-UHFFFAOYSA-N ChemAxon polar_surface_area 217.22 ChemAxon refractivity 163.67 ChemAxon polarizability 68.84 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 14 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 10208 Specdb::MsMs 10209 Specdb::MsMs 10210 Specdb::MsMs 16880 Specdb::MsMs 16881 Specdb::MsMs 16882 Specdb::MsMs 2694432 Specdb::MsMs 2694433 Specdb::MsMs 2694434 Specdb::MsMs 2987315 Specdb::MsMs 2987316 Specdb::MsMs 2987317 Specdb::CMs 675835 Specdb::CMs 675836 Specdb::CMs 675837 Specdb::CMs 675838 Specdb::CMs 675839 Specdb::CMs 675840 Specdb::CMs 675841 Specdb::CMs 675842 Specdb::CMs 675843 Specdb::CMs 675844 Specdb::CMs 675845 Specdb::CMs 675846 Specdb::CMs 675847 Specdb::CMs 675848 Specdb::CMs 675849 Specdb::CMs 675850 Specdb::CMs 675851 Specdb::CMs 675852 Specdb::CMs 675853 Specdb::CMs 675854 Specdb::CMs 675855 Specdb::CMs 675856 Specdb::CMs 675857 Specdb::CMs 675858 Specdb::CMs 675859 HMDB36400 #<Reference:0x000055ce31bf8ee8> Fruits Unknown generic