1.0 2010-04-08 22:11:42 UTC 2025-11-19 00:53:10 UTC FDB015190 (R)-Skyrin 2-glucoside Constituent of Hypericum perforatum (St John's wort). (R)-Skyrin 2-glucoside is found in tea, alcoholic beverages, and herbs and spices. (R)-Skyrin 2-glucoside (R)-Skyrin 2-O-b-D-glucopyranoside C36H28O15 700.5985 700.142820226 1-(4,5-dihydroxy-7-methyl-9,10-dioxo-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-1-yl)-2,4,5-trihydroxy-7-methyl-9,10-dihydroanthracene-9,10-dione 1-(4,5-dihydroxy-7-methyl-9,10-dioxo-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}anthracen-1-yl)-2,4,5-trihydroxy-7-methylanthracene-9,10-dione 95-01-2 CC1=CC2=C(C(O)=C1)C(=O)C1=C(O)C=C(O)C(=C1C2=O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C(O)C2=C1C(=O)C1=CC(C)=CC(O)=C1C2=O InChI=1S/C36H28O15/c1-10-3-12-21(14(38)5-10)32(46)24-17(41)7-16(40)23(27(24)29(12)43)26-19(50-36-35(49)34(48)31(45)20(9-37)51-36)8-18(42)25-28(26)30(44)13-4-11(2)6-15(39)22(13)33(25)47/h3-8,20,31,34-42,45,48-49H,9H2,1-2H3 POVQNEYQMVIEHN-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxyanthraquinones. Hydroxyanthraquinones are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group. Hydroxyanthraquinones Organic compounds Benzenoids Anthracenes Anthraquinones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Aryl ketones Biphenols Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteropolycyclic compound Aryl ketone Biphenol Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxyanthraquinone Ketone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Secondary alcohol Vinylogous acid logp 2.82 ALOGPS logs -3.00 ALOGPS solubility 6.94e-01 g/l ALOGPS logp 5.05 ChemAxon pka_strongest_acidic 6.5 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 1-(4,5-dihydroxy-7-methyl-9,10-dioxo-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-1-yl)-2,4,5-trihydroxy-7-methyl-9,10-dihydroanthracene-9,10-dione ChemAxon average_mass 700.5985 ChemAxon mono_mass 700.142820226 ChemAxon smiles CC1=CC2=C(C(O)=C1)C(=O)C1=C(O)C=C(O)C(=C1C2=O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C(O)C2=C1C(=O)C1=CC(C)=CC(O)=C1C2=O ChemAxon formula C36H28O15 ChemAxon inchi InChI=1S/C36H28O15/c1-10-3-12-21(14(38)5-10)32(46)24-17(41)7-16(40)23(27(24)29(12)43)26-19(50-36-35(49)34(48)31(45)20(9-37)51-36)8-18(42)25-28(26)30(44)13-4-11(2)6-15(39)22(13)33(25)47/h3-8,20,31,34-42,45,48-49H,9H2,1-2H3 ChemAxon inchikey POVQNEYQMVIEHN-UHFFFAOYSA-N ChemAxon polar_surface_area 268.81 ChemAxon refractivity 175.49 ChemAxon polarizability 67.58 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 69630 Specdb::CMs 748939 Specdb::CMs 748940 Specdb::CMs 748941 Specdb::CMs 748942 Specdb::CMs 748943 Specdb::CMs 748944 Specdb::CMs 748945 Specdb::CMs 748946 Specdb::CMs 748947 Specdb::CMs 748948 Specdb::CMs 748949 Specdb::CMs 748950 Specdb::CMs 748951 Specdb::CMs 748952 Specdb::CMs 748953 Specdb::CMs 748954 Specdb::CMs 748955 Specdb::CMs 748956 Specdb::CMs 748957 Specdb::CMs 748958 Specdb::CMs 748959 Specdb::CMs 748960 Specdb::CMs 748961 Specdb::CMs 748962 Specdb::MsMs 56100 Specdb::MsMs 56101 Specdb::MsMs 56102 Specdb::MsMs 111444 Specdb::MsMs 111445 Specdb::MsMs 111446 Specdb::MsMs 2413051 Specdb::MsMs 2413052 Specdb::MsMs 2413053 Specdb::MsMs 2552126 Specdb::MsMs 2552127 Specdb::MsMs 2552128 HMDB0036320 Alcoholic beverages Unknown generic Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442