1.0 2010-04-08 22:14:55 UTC 2019-11-26 03:18:42 UTC FDB020268 Apigenin 5-[4''-rhamnosylglucoside] Constituent of the folk beverage Baishuica (Camellia sinensis). Apigenin 5-[4''-rhamnosylglucoside] is found in tea. 4',5,7-Trihydroxyflavone 5-O-[a-L-rhamnopyranosyl-(1->4)-b-D-glucopyranoside] Apigenin 5-[4''-rhamnosylglucoside] Apigenin 5-O-[a-L-rhamnopyranosyl-(1->4)-b-D-glucopyranoside] Camellianin B Camellin C27H30O14 578.5187 578.163555668 5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one 109232-76-0 CC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C=C(O4)C3=CC=C(O)C=C3)C(O)C2O)C(O)C(O)C1O InChI=1S/C27H30O14/c1-10-20(32)21(33)23(35)26(37-10)41-25-18(9-28)40-27(24(36)22(25)34)39-17-7-13(30)6-16-19(17)14(31)8-15(38-16)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3 LRFDUPNLCDXZOE-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Flavonoid O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Chromones Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 4'-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Disaccharide Flavone Flavonoid o-glycoside Flavonoid-5-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous ester logp -0.04 ALOGPS logs -2.35 ALOGPS solubility 2.58e+00 g/l ALOGPS melting_point Mp 328-330° logp -0.94 ChemAxon pka_strongest_acidic 6.53 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 578.5187 ChemAxon mono_mass 578.163555668 ChemAxon smiles CC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C=C(O4)C3=CC=C(O)C=C3)C(O)C2O)C(O)C(O)C1O ChemAxon formula C27H30O14 ChemAxon inchi InChI=1S/C27H30O14/c1-10-20(32)21(33)23(35)26(37-10)41-25-18(9-28)40-27(24(36)22(25)34)39-17-7-13(30)6-16-19(17)14(31)8-15(38-16)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3 ChemAxon inchikey LRFDUPNLCDXZOE-UHFFFAOYSA-N ChemAxon polar_surface_area 225.06 ChemAxon refractivity 135.93 ChemAxon polarizability 57.35 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 14 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 290044 Specdb::MsMs 290045 Specdb::MsMs 290046 Specdb::MsMs 329644 Specdb::MsMs 329645 Specdb::MsMs 329646 Specdb::MsMs 2706269 Specdb::MsMs 2706270 Specdb::MsMs 2706271 Specdb::MsMs 2999452 Specdb::MsMs 2999453 Specdb::MsMs 2999454 Specdb::NmrOneD 40922 Specdb::NmrOneD 40923 Specdb::NmrOneD 40924 Specdb::NmrOneD 40925 Specdb::NmrOneD 40926 Specdb::NmrOneD 40927 Specdb::NmrOneD 40928 Specdb::NmrOneD 40929 Specdb::NmrOneD 40930 Specdb::NmrOneD 40931 Specdb::NmrOneD 40932 Specdb::NmrOneD 40933 Specdb::NmrOneD 40934 Specdb::NmrOneD 40935 Specdb::NmrOneD 40936 Specdb::NmrOneD 40937 Specdb::NmrOneD 40938 Specdb::NmrOneD 40939 Specdb::NmrOneD 40940 Specdb::NmrOneD 40941 Specdb::CMs 10920 Specdb::CMs 46802 Specdb::CMs 282484 Specdb::CMs 382764 Specdb::CMs 382765 Specdb::CMs 382766 Specdb::CMs 382767 Specdb::CMs 382768 Specdb::CMs 382769 Specdb::CMs 382770 Specdb::CMs 382771 Specdb::CMs 382772 Specdb::CMs 382773 Specdb::CMs 382774 Specdb::CMs 382775 Specdb::CMs 382776 Specdb::CMs 382777 Specdb::CMs 382778 Specdb::CMs 382779 Specdb::CMs 382780 Specdb::CMs 382781 Specdb::CMs 382782 Specdb::CMs 382783 Specdb::CMs 382784 Specdb::CMs 382785 HMDB40504 #<Reference:0x000055ce319325d8> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442