1.0 2010-04-08 22:05:01 UTC 2025-11-18 22:32:03 UTC FDB001563 6,8-Di-C-beta-D-arabinopyranosylapigenin 6,8-di-c-beta-d-arabinopyranosylapigenin is a member of the class of compounds known as flavonoid 8-c-glycosides. Flavonoid 8-c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. 6,8-di-c-beta-d-arabinopyranosylapigenin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6,8-di-c-beta-d-arabinopyranosylapigenin can be found in tea, which makes 6,8-di-c-beta-d-arabinopyranosylapigenin a potential biomarker for the consumption of this food product. 6,8-Di-C-beta-D-arabinopyranosyl apigenin Beta-methylmelibiose C25H26O13 534.4661 534.137340918 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-4H-chromen-4-one 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one 107911-03-5 O[C@@H]1CO[C@H]([C@@H](O)[C@@H]1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C=C2)C([C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)=C1O InChI=1S/C25H26O13/c26-9-3-1-8(2-4-9)13-5-10(27)14-19(32)15(24-21(34)17(30)11(28)6-36-24)20(33)16(23(14)38-13)25-22(35)18(31)12(29)7-37-25/h1-5,11-12,17-18,21-22,24-26,28-35H,6-7H2/t11-,12-,17-,18-,21+,22+,24+,25+/m1/s1 LDVNKZYMYPZDAI-DSSHJQBISA-N belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. Flavonoid 8-C-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Benzene and substituted derivatives Chromones Dialkyl ethers Flavones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Dialkyl ether Ether Flavone Flavonoid-8-c-glycoside Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.52 ALOGPS logs -2.06 ALOGPS solubility 4.62e+00 g/l ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 5.76 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-4H-chromen-4-one ChemAxon average_mass 534.4661 ChemAxon mono_mass 534.137340918 ChemAxon smiles O[C@@H]1CO[C@H]([C@@H](O)[C@@H]1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C=C2)C([C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)=C1O ChemAxon formula C25H26O13 ChemAxon inchi InChI=1S/C25H26O13/c26-9-3-1-8(2-4-9)13-5-10(27)14-19(32)15(24-21(34)17(30)11(28)6-36-24)20(33)16(23(14)38-13)25-22(35)18(31)12(29)7-37-25/h1-5,11-12,17-18,21-22,24-26,28-35H,6-7H2/t11-,12-,17-,18-,21+,22+,24+,25+/m1/s1 ChemAxon inchikey LDVNKZYMYPZDAI-DSSHJQBISA-N ChemAxon polar_surface_area 226.83 ChemAxon refractivity 127.23 ChemAxon polarizability 51.65 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 13 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 95862 Specdb::MsMs 95863 Specdb::MsMs 95864 Specdb::MsMs 160215 Specdb::MsMs 160216 Specdb::MsMs 160217 Specdb::MsMs 3597800 Specdb::MsMs 3597801 Specdb::MsMs 3597802 Specdb::MsMs 3598972 Specdb::MsMs 3598973 Specdb::MsMs 3598974 Black tea Type 1 2.0 2.0 2.0 mg/100 g Green tea Type 1 2.0 2.0 2.0 mg/100 g Herbal tea Type 1 2.0 2.0 2.0 mg/100 g Red tea Type 1 2.0 2.0 2.0 mg/100 g Tea Type 1 specific Camellia sinensis 4442 2.0 2.0 2.0 mg/100 g