1.0 2010-04-08 22:14:56 UTC 2019-11-26 03:18:44 UTC FDB020304 (2R,3R)-3,3',4',7-Tetrahydroxyflavanone 7-O-alpha-L-Rhamnopyranoside Constituent of the roots of the famine food Adansonia digitata (baobab). (2R,3R)-3,3',4',7-Tetrahydroxyflavanone 7-O-alpha-L-Rhamnopyranoside is found in fruits. Fustin 7-rhamnoside C21H22O10 434.3934 434.121296924 2-(3,4-dihydroxyphenyl)-3-hydroxy-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one 2-(3,4-dihydroxyphenyl)-3-hydroxy-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,3-dihydro-1-benzopyran-4-one 114728-43-7 CC1OC(OC2=CC3=C(C=C2)C(=O)C(O)C(O3)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O InChI=1S/C21H22O10/c1-8-15(24)17(26)19(28)21(29-8)30-10-3-4-11-14(7-10)31-20(18(27)16(11)25)9-2-5-12(22)13(23)6-9/h2-8,15,17-24,26-28H,1H3 BNNJPJKHDDIDLD-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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids Acetals Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Catechols Chromones Flavanonols Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavonoid 4'-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Catechol Chromane Chromone Ether Flavan Flavanone Flavanonol Flavonoid-7-o-glycoside Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Secondary alcohol logp 0.34 ALOGPS logs -2.37 ALOGPS solubility 1.84e+00 g/l ALOGPS logp 0.25 ChemAxon pka_strongest_acidic 9.21 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-3-hydroxy-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 434.3934 ChemAxon mono_mass 434.121296924 ChemAxon smiles CC1OC(OC2=CC3=C(C=C2)C(=O)C(O)C(O3)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C21H22O10 ChemAxon inchi InChI=1S/C21H22O10/c1-8-15(24)17(26)19(28)21(29-8)30-10-3-4-11-14(7-10)31-20(18(27)16(11)25)9-2-5-12(22)13(23)6-9/h2-8,15,17-24,26-28H,1H3 ChemAxon inchikey BNNJPJKHDDIDLD-UHFFFAOYSA-N ChemAxon polar_surface_area 166.14 ChemAxon refractivity 103.23 ChemAxon polarizability 42.67 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26342 Specdb::CMs 46820 Specdb::CMs 170511 Specdb::MsMs 324397 Specdb::MsMs 324398 Specdb::MsMs 324399 Specdb::MsMs 372793 Specdb::MsMs 372794 Specdb::MsMs 372795 Specdb::MsMs 2750830 Specdb::MsMs 2750831 Specdb::MsMs 2750832 Specdb::MsMs 2928034 Specdb::MsMs 2928035 Specdb::MsMs 2928036 HMDB40536 #<Reference:0x000055ce31a77d58> Fruits Unknown generic