1.0 2010-04-08 22:13:33 UTC 2019-11-26 03:15:49 UTC FDB018184 Astragalin 2''-xyloside 6''-rhamnoside Isolated from China tea (Camellia sinensis) seeds. Astragalin 2''-xyloside 6''-rhamnoside is found in tea. Astragalin 2''-O-xyloside 6''-O-rhamnoside Astragalin 2''-xyloside 6''-rhamnoside Camelliaside B K-xyl-rha-glu C32H38O19 726.6327 726.200729034 3-[(4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 3-[(4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 131573-90-5 CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O InChI=1S/C32H38O19/c1-10-19(37)23(41)26(44)30(47-10)46-9-17-21(39)24(42)29(51-31-25(43)20(38)15(36)8-45-31)32(49-17)50-28-22(40)18-14(35)6-13(34)7-16(18)48-27(28)11-2-4-12(33)5-3-11/h2-7,10,15,17,19-21,23-26,29-39,41-44H,8-9H2,1H3 LLPRITPJQPQXIR-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 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran 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 Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.44 ALOGPS logs -1.96 ALOGPS solubility 7.97e+00 g/l ALOGPS melting_point Mp 194-196° logp -1.7 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-[(4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 726.6327 ChemAxon mono_mass 726.200729034 ChemAxon smiles CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C32H38O19 ChemAxon inchi InChI=1S/C32H38O19/c1-10-19(37)23(41)26(44)30(47-10)46-9-17-21(39)24(42)29(51-31-25(43)20(38)15(36)8-45-31)32(49-17)50-28-22(40)18-14(35)6-13(34)7-16(18)48-27(28)11-2-4-12(33)5-3-11/h2-7,10,15,17,19-21,23-26,29-39,41-44H,8-9H2,1H3 ChemAxon inchikey LLPRITPJQPQXIR-UHFFFAOYSA-N ChemAxon polar_surface_area 304.21 ChemAxon refractivity 164.62 ChemAxon polarizability 69.17 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 19 ChemAxon donor_count 11 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 764099 Specdb::CMs 764100 Specdb::CMs 764101 Specdb::CMs 764102 Specdb::CMs 764103 Specdb::CMs 764104 Specdb::CMs 764105 Specdb::CMs 764106 Specdb::CMs 764107 Specdb::CMs 764108 Specdb::CMs 764109 Specdb::CMs 764110 Specdb::CMs 764111 Specdb::CMs 764112 Specdb::CMs 764113 Specdb::CMs 764114 Specdb::CMs 764115 Specdb::CMs 764116 Specdb::CMs 764117 Specdb::CMs 764118 Specdb::CMs 764119 Specdb::CMs 764120 Specdb::CMs 764121 Specdb::CMs 764122 Specdb::CMs 764123 Specdb::MsMs 12488 Specdb::MsMs 12489 Specdb::MsMs 12490 Specdb::MsMs 19160 Specdb::MsMs 19161 Specdb::MsMs 19162 Specdb::MsMs 2345105 Specdb::MsMs 2345106 Specdb::MsMs 2345107 Specdb::MsMs 2589661 Specdb::MsMs 2589662 Specdb::MsMs 2589663 Specdb::NmrOneD 29222 Specdb::NmrOneD 29223 Specdb::NmrOneD 29224 Specdb::NmrOneD 29225 Specdb::NmrOneD 29226 Specdb::NmrOneD 29227 Specdb::NmrOneD 29228 Specdb::NmrOneD 29229 Specdb::NmrOneD 29230 Specdb::NmrOneD 29231 Specdb::NmrOneD 29232 Specdb::NmrOneD 29233 Specdb::NmrOneD 29234 Specdb::NmrOneD 29235 Specdb::NmrOneD 29236 Specdb::NmrOneD 29237 Specdb::NmrOneD 29238 Specdb::NmrOneD 29239 Specdb::NmrOneD 29240 Specdb::NmrOneD 29241 HMDB38767 #<Reference:0x000055ce334f1f80> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442