1.0 2010-04-08 22:05:05 UTC 2019-11-26 02:56:39 UTC FDB001709 Isosakuranetin 7-[arabinosyl-(1->6)-glucoside] Constituent of Punica granatum (pomegranate)[CCD]. Isosakuranetin 7-[arabinosyl-(1->6)-glucoside] is found in pomegranate. (S)-5,7-Dihydroxy-4'-methoxyflavanone 7-O-[a-L-arabinofuranosyl-(1->6)-b-D-glucopyranoside] 5,7-Dihydroxy-4'-methoxyflavanone 7-alpha-L-arabinofuranosyl-(1->6)-glucoside Isosakuranetin 7-[arabinosyl-(1->6)-glucoside] Isosakuranetin 7-alpha-L-arabinofuranosyl-(1->6)-glucoside Isosakuranetin 7-O-[a-L-arabinofuranosyl-(1->6)-b-D-glucopyranoside] Isosakuranetin 7-O-[a-L-arabinosyl-(1->6)-b-D-glucoside] C27H32O14 580.5346 580.179205732 7-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one 7-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one 340816-07-1 COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O InChI=1S/C27H32O14/c1-36-12-4-2-11(3-5-12)16-8-15(30)20-14(29)6-13(7-17(20)39-16)38-27-25(35)23(33)22(32)19(41-27)10-37-26-24(34)21(31)18(9-28)40-26/h2-7,16,18-19,21-29,31-35H,8-10H2,1H3/t16?,18-,19+,21-,22+,23-,24+,25+,26+,27+/m0/s1 DVGAUVZPQOOYFU-BLFWKTEASA-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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-O-methylated flavonoids 5-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Aryl alkyl ketones Chromones Disaccharides Flavanones Hydrocarbon derivatives Methoxybenzenes O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Disaccharide Ether Flavan Flavanone Flavonoid-7-o-glycoside Glycosyl compound Hydrocarbon derivative Hydroxyflavonoid Ketone Methoxybenzene Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Tetrahydrofuran Vinylogous acid solid logp -0.33 ALOGPS logs -2.47 ALOGPS solubility 1.97e+00 g/l ALOGPS melting_point Mp 250° logp -0.43 ChemAxon pka_strongest_acidic 9.84 ChemAxon pka_strongest_basic -3 ChemAxon iupac 7-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 580.5346 ChemAxon mono_mass 580.179205732 ChemAxon smiles COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O ChemAxon formula C27H32O14 ChemAxon inchi InChI=1S/C27H32O14/c1-36-12-4-2-11(3-5-12)16-8-15(30)20-14(29)6-13(7-17(20)39-16)38-27-25(35)23(33)22(32)19(41-27)10-37-26-24(34)21(31)18(9-28)40-26/h2-7,16,18-19,21-29,31-35H,8-10H2,1H3/t16?,18-,19+,21-,22+,23-,24+,25+,26+,27+/m0/s1 ChemAxon inchikey DVGAUVZPQOOYFU-BLFWKTEASA-N ChemAxon polar_surface_area 214.06 ChemAxon refractivity 134.37 ChemAxon polarizability 57.71 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 14 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 62088 Specdb::MsMs 62089 Specdb::MsMs 62090 Specdb::MsMs 118749 Specdb::MsMs 118750 Specdb::MsMs 118751 Specdb::MsMs 3598199 Specdb::MsMs 3598200 Specdb::MsMs 3598201 Specdb::MsMs 3598999 Specdb::MsMs 3599000 Specdb::MsMs 3599001 Pomegranate Type 1 specific Punica granatum 22663