1.0 2010-04-08 22:12:24 UTC 2019-11-26 03:13:09 UTC FDB016386 Azaleatin 3-arabinoside Isolated from pecan nuts Carya pecan. Azaleatin 3-arabinoside is found in nuts. 3,3',4',7-Tetrahydroxy-5-methoxyflavone 3-O-arabinoside Azaleatin 3-arabinoside Azaleatin 3-O-arabinoside C21H20O11 448.3769 448.100561482 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-4H-chromen-4-one 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]chromen-4-one 63742-73-4 COC1=C2C(=O)C(OC3OCC(O)C(O)C3O)=C(OC2=CC(O)=C1)C1=CC(O)=C(O)C=C1 InChI=1S/C21H20O11/c1-29-13-5-9(22)6-14-15(13)17(27)20(32-21-18(28)16(26)12(25)7-30-21)19(31-14)8-2-3-10(23)11(24)4-8/h2-6,12,16,18,21-26,28H,7H2,1H3 YBUCFCOHYGARIM-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-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'-hydroxyflavonoids 5-O-methylated flavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Benzene and substituted derivatives Catechols Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyranones and derivatives Secondary alcohols Vinylogous esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-methoxyflavonoid-skeleton 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Ether Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Pyran Pyranone Secondary alcohol Vinylogous ester logp 1.28 ALOGPS logs -2.68 ALOGPS solubility 9.36e-01 g/l ALOGPS melting_point Mp 150° dec. logp -0.019 ChemAxon pka_strongest_acidic 6.37 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 448.3769 ChemAxon mono_mass 448.100561482 ChemAxon smiles COC1=C2C(=O)C(OC3OCC(O)C(O)C3O)=C(OC2=CC(O)=C1)C1=CC(O)=C(O)C=C1 ChemAxon formula C21H20O11 ChemAxon inchi InChI=1S/C21H20O11/c1-29-13-5-9(22)6-14-15(13)17(27)20(32-21-18(28)16(26)12(25)7-30-21)19(31-14)8-2-3-10(23)11(24)4-8/h2-6,12,16,18,21-26,28H,7H2,1H3 ChemAxon inchikey YBUCFCOHYGARIM-UHFFFAOYSA-N ChemAxon polar_surface_area 175.37 ChemAxon refractivity 107.8 ChemAxon polarizability 42.65 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 140250 Specdb::NmrOneD 140251 Specdb::NmrOneD 140252 Specdb::NmrOneD 140253 Specdb::NmrOneD 140254 Specdb::NmrOneD 140255 Specdb::NmrOneD 140256 Specdb::NmrOneD 140257 Specdb::NmrOneD 140258 Specdb::NmrOneD 140259 Specdb::NmrOneD 140260 Specdb::NmrOneD 140261 Specdb::NmrOneD 140262 Specdb::NmrOneD 140263 Specdb::NmrOneD 140264 Specdb::NmrOneD 140265 Specdb::NmrOneD 140266 Specdb::NmrOneD 140267 Specdb::NmrOneD 140268 Specdb::NmrOneD 140269 Specdb::CMs 15510 Specdb::CMs 45341 Specdb::CMs 172206 Specdb::MsMs 9449 Specdb::MsMs 9450 Specdb::MsMs 9451 Specdb::MsMs 16121 Specdb::MsMs 16122 Specdb::MsMs 16123 Specdb::MsMs 2811935 Specdb::MsMs 2811936 Specdb::MsMs 2811937 Specdb::MsMs 2896635 Specdb::MsMs 2896636 Specdb::MsMs 2896637 HMDB37359 #<Reference:0x000055ce32259af8> Nuts Unknown generic