1.0 2010-04-08 22:11:42 UTC 2025-11-19 00:53:10 UTC FDB015188 (R)-Skyrin 2-arabinoside Constituent of Hypericum perforatum (St John's wort). (R)-Skyrin 2-arabinoside is found in tea, alcoholic beverages, and herbs and spices. (R)-Skyrin 2-arabinoside (R)-Skyrin 2-O-a-arabinopyranoside C35H26O14 670.5725 670.13225554 4,5-dihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)-2-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9,10-dihydroanthracene-9,10-dione 4,5-dihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)-2-[(3,4,5-trihydroxyoxan-2-yl)oxy]anthracene-9,10-dione 95-01-2 CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(=C(OC1OCC(O)C(O)C1O)C=C3O)C1=C2C(=O)C3=C(C(O)=CC(C)=C3)C(=O)C2=C(O)C=C1O InChI=1S/C35H26O14/c1-10-3-12-21(14(36)5-10)32(45)24-17(39)7-16(38)23(27(24)29(12)42)26-20(49-35-34(47)31(44)19(41)9-48-35)8-18(40)25-28(26)30(43)13-4-11(2)6-15(37)22(13)33(25)46/h3-8,19,31,34-41,44,47H,9H2,1-2H3 RTWSMOOOURBUSZ-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 Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Secondary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteropolycyclic compound Aryl ketone Biphenol Glycosyl compound Hydrocarbon derivative Hydroxyanthraquinone Ketone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Secondary alcohol Vinylogous acid logp 3.12 ALOGPS logs -3.19 ALOGPS solubility 4.37e-01 g/l ALOGPS logp 5.68 ChemAxon pka_strongest_acidic 6.5 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 4,5-dihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)-2-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9,10-dihydroanthracene-9,10-dione ChemAxon average_mass 670.5725 ChemAxon mono_mass 670.13225554 ChemAxon smiles CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(=C(OC1OCC(O)C(O)C1O)C=C3O)C1=C2C(=O)C3=C(C(O)=CC(C)=C3)C(=O)C2=C(O)C=C1O ChemAxon formula C35H26O14 ChemAxon inchi InChI=1S/C35H26O14/c1-10-3-12-21(14(36)5-10)32(45)24-17(39)7-16(38)23(27(24)29(12)42)26-20(49-35-34(47)31(44)19(41)9-48-35)8-18(40)25-28(26)30(43)13-4-11(2)6-15(37)22(13)33(25)46/h3-8,19,31,34-41,44,47H,9H2,1-2H3 ChemAxon inchikey RTWSMOOOURBUSZ-UHFFFAOYSA-N ChemAxon polar_surface_area 248.58 ChemAxon refractivity 169.53 ChemAxon polarizability 64.78 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 14 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 702001 Specdb::CMs 702002 Specdb::CMs 702003 Specdb::CMs 702004 Specdb::CMs 702005 Specdb::CMs 702006 Specdb::CMs 702007 Specdb::CMs 702008 Specdb::CMs 702009 Specdb::CMs 702010 Specdb::CMs 702011 Specdb::CMs 702012 Specdb::CMs 702013 Specdb::CMs 702014 Specdb::CMs 702015 Specdb::CMs 702016 Specdb::CMs 702017 Specdb::CMs 702018 Specdb::CMs 702019 Specdb::CMs 702020 Specdb::CMs 702021 Specdb::CMs 702022 Specdb::CMs 702023 Specdb::CMs 702024 Specdb::CMs 702025 Specdb::MsMs 73761 Specdb::MsMs 73762 Specdb::MsMs 73763 Specdb::MsMs 132996 Specdb::MsMs 132997 Specdb::MsMs 132998 Specdb::MsMs 2782177 Specdb::MsMs 2782178 Specdb::MsMs 2782179 Specdb::MsMs 2927458 Specdb::MsMs 2927459 Specdb::MsMs 2927460 HMDB0036319 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