1.0 2010-04-08 22:12:32 UTC 2019-11-26 03:13:31 UTC FDB016617 Hesperetin 5-glucoside Isolated from peach (Persica vulgaris) stem bark. Hesperetin 5-glucoside is found in fruits and peach. Hesperetin 5-glucoside Hesperetin 5-O-beta-D-glucoside Hesperetin 5-O-glucoside C22H24O11 464.4194 464.13186161 7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one hesperetin 5-O-glucoside 69651-80-5 COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2OC1OC(CO)C(O)C(O)C1O InChI=1S/C22H24O11/c1-30-13-3-2-9(4-11(13)25)14-7-12(26)18-15(31-14)5-10(24)6-16(18)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3 QSLBWGKNSBMTJL-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 3'-hydroxyflavonoids 4'-O-methylated flavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Aryl alkyl ketones Chromones Flavanones Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4p-methoxyflavonoid-skeleton 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Flavan Flavanone Flavonoid o-glycoside Flavonoid-5-o-glycoside Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Ketone Methoxybenzene Methoxyphenol 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 Secondary alcohol Flavanones logp 0.08 ALOGPS logs -2.52 ALOGPS solubility 1.39e+00 g/l ALOGPS melting_point Mp 257-258° logp -0.24 ChemAxon pka_strongest_acidic 7.81 ChemAxon pka_strongest_basic -3 ChemAxon iupac 7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 464.4194 ChemAxon mono_mass 464.13186161 ChemAxon smiles COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2OC1OC(CO)C(O)C(O)C1O ChemAxon formula C22H24O11 ChemAxon inchi InChI=1S/C22H24O11/c1-30-13-3-2-9(4-11(13)25)14-7-12(26)18-15(31-14)5-10(24)6-16(18)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3 ChemAxon inchikey QSLBWGKNSBMTJL-UHFFFAOYSA-N ChemAxon polar_surface_area 175.37 ChemAxon refractivity 109.9 ChemAxon polarizability 45.67 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23343 Specdb::CMs 45446 Specdb::CMs 135359 Specdb::CMs 143093 Specdb::CMs 158801 Specdb::CMs 280251 Specdb::NmrOneD 141490 Specdb::NmrOneD 141491 Specdb::NmrOneD 141492 Specdb::NmrOneD 141493 Specdb::NmrOneD 141494 Specdb::NmrOneD 141495 Specdb::NmrOneD 141496 Specdb::NmrOneD 141497 Specdb::NmrOneD 141498 Specdb::NmrOneD 141499 Specdb::NmrOneD 141500 Specdb::NmrOneD 141501 Specdb::NmrOneD 141502 Specdb::NmrOneD 141503 Specdb::NmrOneD 141504 Specdb::NmrOneD 141505 Specdb::NmrOneD 141506 Specdb::NmrOneD 141507 Specdb::NmrOneD 141508 Specdb::NmrOneD 141509 Specdb::MsMs 9818 Specdb::MsMs 9819 Specdb::MsMs 9820 Specdb::MsMs 16490 Specdb::MsMs 16491 Specdb::MsMs 16492 Specdb::MsMs 2365930 Specdb::MsMs 2365931 Specdb::MsMs 2365932 Specdb::MsMs 2597170 Specdb::MsMs 2597171 Specdb::MsMs 2597172 HMDB37535 #<Reference:0x000055ce317fcbf0> Fruits Unknown generic Peach Type 1 specific Prunus persica 3760