1.0 2010-04-08 22:15:29 UTC 2025-11-19 02:35:43 UTC FDB021134 8-Hydroxyhesperetin 7-[6-acetylglucosyl-(1->2)-glucoside] Constituent of Sideritis syriaca (Greek mountain tea). 8-Hydroxyhesperetin 7-[6-acetylglucosyl-(1->2)-glucoside] is found in tea. 8-Hydroxyhesperetin 7-[6-acetylglucosyl-(1->2)-glucoside] 8-Hydroxyhesperetin 7-O-[6-O-acetyl-b-D-glucopyranosyl-(1->2)-b-D-glucopyranoside] C30H34O18 682.5802 682.174514284 {6-[(2-{[5,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate {6-[(2-{[5,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate 162110-44-3 COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(O)=C(OC1OC(CO)C(O)C(O)C1OC1OC(COC(C)=O)C(O)C(O)C1O)C=C2O InChI=1S/C30H34O18/c1-10(32)43-9-19-22(37)24(39)26(41)29(47-19)48-28-25(40)21(36)18(8-31)46-30(28)45-17-7-14(35)20-13(34)6-16(44-27(20)23(17)38)11-3-4-15(42-2)12(33)5-11/h3-7,18-19,21-22,24-26,28-31,33,35-41H,8-9H2,1-2H3 LORXOTCKKVEWGS-UHFFFAOYSA-N belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Terpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Butenolides Cyclic alcohols and derivatives Cyclic ketones Enoate esters Eremophilanolides and secoeremophilanolides Hemiacetals Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Naphthofurans Organic oxides Oxacyclic compounds Sesquiterpenoids 2-furanone Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cyclic ketone Dihydrofuran Enoate ester Eremophilanolide or secoeremophilanolide Hemiacetal Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Sesquiterpenoid Terpene lactone logp 0.12 ALOGPS logs -2.36 ALOGPS solubility 2.96e+00 g/l ALOGPS melting_point Mp 270-272° logp -1.4 ChemAxon pka_strongest_acidic 8.64 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac {6-[(2-{[5,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate ChemAxon average_mass 682.5802 ChemAxon mono_mass 682.174514284 ChemAxon smiles COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C(O)=C(OC1OC(CO)C(O)C(O)C1OC1OC(COC(C)=O)C(O)C(O)C1O)C=C2O ChemAxon formula C30H34O18 ChemAxon inchi InChI=1S/C30H34O18/c1-10(32)43-9-19-22(37)24(39)26(41)29(47-19)48-28-25(40)21(36)18(8-31)46-30(28)45-17-7-14(35)20-13(34)6-16(44-27(20)23(17)38)11-3-4-15(42-2)12(33)5-11/h3-7,18-19,21-22,24-26,28-31,33,35-41H,8-9H2,1-2H3 ChemAxon inchikey LORXOTCKKVEWGS-UHFFFAOYSA-N ChemAxon polar_surface_area 280.82 ChemAxon refractivity 155.07 ChemAxon polarizability 66.42 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 17 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 45562 Specdb::NmrOneD 45563 Specdb::NmrOneD 45564 Specdb::NmrOneD 45565 Specdb::NmrOneD 45566 Specdb::NmrOneD 45567 Specdb::NmrOneD 45568 Specdb::NmrOneD 45569 Specdb::NmrOneD 45570 Specdb::NmrOneD 45571 Specdb::NmrOneD 45572 Specdb::NmrOneD 45573 Specdb::NmrOneD 45574 Specdb::NmrOneD 45575 Specdb::NmrOneD 45576 Specdb::NmrOneD 45577 Specdb::NmrOneD 45578 Specdb::NmrOneD 45579 Specdb::NmrOneD 45580 Specdb::NmrOneD 45581 Specdb::MsMs 316447 Specdb::MsMs 316448 Specdb::MsMs 316449 Specdb::MsMs 362710 Specdb::MsMs 362711 Specdb::MsMs 362712 Specdb::MsMs 2757282 Specdb::MsMs 2757283 Specdb::MsMs 2757284 Specdb::MsMs 2947878 Specdb::MsMs 2947879 Specdb::MsMs 2947880 Specdb::CMs 22725 Specdb::CMs 726564 Specdb::CMs 726565 Specdb::CMs 726566 Specdb::CMs 726567 Specdb::CMs 726568 Specdb::CMs 726569 Specdb::CMs 726570 Specdb::CMs 726571 Specdb::CMs 726572 Specdb::CMs 726573 Specdb::CMs 726574 Specdb::CMs 726575 Specdb::CMs 726576 Specdb::CMs 726577 Specdb::CMs 726578 Specdb::CMs 726579 Specdb::CMs 726580 Specdb::CMs 726581 Specdb::CMs 726582 Specdb::CMs 726583 Specdb::CMs 726584 Specdb::CMs 726585 Specdb::CMs 726586 Specdb::CMs 726587 HMDB41232 #<Reference:0x000055ce3051b1f8> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442