1.0 2010-04-08 22:14:54 UTC 2019-11-26 03:18:42 UTC FDB020266 Pinostrobin 5-glucoside Isolated from bark of morello cherry. Pinostrobin 5-glucoside is found in fruits. Pinostrobin 5-glucoside Pinostrobin 5-O-glucoside C22H24O9 432.4206 432.142032366 7-methoxy-2-phenyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one pinostrobin 5-O-glucoside 115799-14-9 COC1=CC2=C(C(=O)CC(O2)C2=CC=CC=C2)C(OC2OC(CO)C(O)C(O)C2O)=C1 InChI=1S/C22H24O9/c1-28-12-7-15-18(13(24)9-14(29-15)11-5-3-2-4-6-11)16(8-12)30-22-21(27)20(26)19(25)17(10-23)31-22/h2-8,14,17,19-23,25-27H,9-10H2,1H3 PKWCARAECWHBCL-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 7-O-methylated flavonoids Acetals Alkyl aryl ethers Anisoles Aryl alkyl ketones Benzene and substituted derivatives Chromones Flavanones Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols 1-benzopyran 7-methoxyflavonoid-skeleton 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 Ketone Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Secondary alcohol Flavanones logp 0.73 ALOGPS logs -2.54 ALOGPS solubility 1.24e+00 g/l ALOGPS logp 0.37 ChemAxon pka_strongest_acidic 12.19 ChemAxon pka_strongest_basic -3 ChemAxon iupac 7-methoxy-2-phenyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 432.4206 ChemAxon mono_mass 432.142032366 ChemAxon smiles COC1=CC2=C(C(=O)CC(O2)C2=CC=CC=C2)C(OC2OC(CO)C(O)C(O)C2O)=C1 ChemAxon formula C22H24O9 ChemAxon inchi InChI=1S/C22H24O9/c1-28-12-7-15-18(13(24)9-14(29-15)11-5-3-2-4-6-11)16(8-12)30-22-21(27)20(26)19(25)17(10-23)31-22/h2-8,14,17,19-23,25-27H,9-10H2,1H3 ChemAxon inchikey PKWCARAECWHBCL-UHFFFAOYSA-N ChemAxon polar_surface_area 134.91 ChemAxon refractivity 105.94 ChemAxon polarizability 43.62 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 286999 Specdb::MsMs 287000 Specdb::MsMs 287001 Specdb::MsMs 325741 Specdb::MsMs 325742 Specdb::MsMs 325743 Specdb::MsMs 2992691 Specdb::MsMs 2992692 Specdb::MsMs 2992693 Specdb::CMs 9522 Specdb::CMs 46801 Specdb::CMs 146990 HMDB40503 #<Reference:0x000055ce30371b18> Fruits Unknown generic