1.0 2010-04-08 22:14:26 UTC 2025-11-19 02:20:48 UTC FDB019573 Hyperin 2''-[glucosyl-(1->3)-rhamnoside] 6''-rhamnoside Constituent of the leaves of Maytenus aquifolium. Hyperin 2''-[glucosyl-(1->3)-rhamnoside] 6''-rhamnoside is found in tea. Hyperin 2''-[glucosyl-(1->3)-rhamnoside] 6''-rhamnoside Hyperin 2''-O-[b-D-glucopyranosyl-(1->3)-a-L-rhamnopyranoside] 6''-O-a-L-rhamnopyranoside C39H50O25 918.7993 918.26411715 3-({3-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one 3-({3-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one 482-36-0 CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(OC3OC(C)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O InChI=1S/C39H50O25/c1-10-21(45)26(50)29(53)36(57-10)56-9-19-24(48)28(52)35(64-38-31(55)33(22(46)11(2)58-38)62-37-30(54)27(51)23(47)18(8-40)60-37)39(61-19)63-34-25(49)20-16(44)6-13(41)7-17(20)59-32(34)12-3-4-14(42)15(43)5-12/h3-7,10-11,18-19,21-24,26-31,33,35-48,50-55H,8-9H2,1-2H3 CBSLALAKOKYDBZ-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-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Catechols Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.34 ALOGPS logs -1.61 ALOGPS solubility 2.25e+01 g/l ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-({3-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one ChemAxon average_mass 918.7993 ChemAxon mono_mass 918.26411715 ChemAxon smiles CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(OC3OC(C)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C39H50O25 ChemAxon inchi InChI=1S/C39H50O25/c1-10-21(45)26(50)29(53)36(57-10)56-9-19-24(48)28(52)35(64-38-31(55)33(22(46)11(2)58-38)62-37-30(54)27(51)23(47)18(8-40)60-37)39(61-19)63-34-25(49)20-16(44)6-13(41)7-17(20)59-32(34)12-3-4-14(42)15(43)5-12/h3-7,10-11,18-19,21-24,26-31,33,35-48,50-55H,8-9H2,1-2H3 ChemAxon inchikey CBSLALAKOKYDBZ-UHFFFAOYSA-N ChemAxon polar_surface_area 403.59 ChemAxon refractivity 203.43 ChemAxon polarizability 87.8 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 25 ChemAxon donor_count 15 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 62190 Specdb::MsMs 62191 Specdb::MsMs 62192 Specdb::MsMs 118863 Specdb::MsMs 118864 Specdb::MsMs 118865 Specdb::MsMs 2318813 Specdb::MsMs 2318814 Specdb::MsMs 2318815 Specdb::MsMs 2617403 Specdb::MsMs 2617404 Specdb::MsMs 2617405 Specdb::NmrOneD 36902 Specdb::NmrOneD 36903 Specdb::NmrOneD 36904 Specdb::NmrOneD 36905 Specdb::NmrOneD 36906 Specdb::NmrOneD 36907 Specdb::NmrOneD 36908 Specdb::NmrOneD 36909 Specdb::NmrOneD 36910 Specdb::NmrOneD 36911 Specdb::NmrOneD 36912 Specdb::NmrOneD 36913 Specdb::NmrOneD 36914 Specdb::NmrOneD 36915 Specdb::NmrOneD 36916 Specdb::NmrOneD 36917 Specdb::NmrOneD 36918 Specdb::NmrOneD 36919 Specdb::NmrOneD 36920 Specdb::NmrOneD 36921 HMDB39911 #<Reference:0x000055ce3355c7b8> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442