1.0 2010-04-08 22:13:14 UTC 2025-11-19 01:56:03 UTC FDB017663 (S)-Bitalin A 12-glucoside Constituent of Helichrysum italicum (curry plant). (S)-Bitalin A 12-glucoside is found in tea and herbs and spices. (S)-Bitalin A 12-glucoside (S)-Bitalin A 12-O-b-D-glucopyranoside (S)-Bitalin A 12-O-b-D-glucoside C19H24O8 380.3891 380.147117744 1-[2-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethan-1-one 1-[2-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone 302-72-7 CC(=O)C1=CC2=C(OC(C2)C(=C)COC2OC(CO)C(O)C(O)C2O)C=C1 InChI=1S/C19H24O8/c1-9(8-25-19-18(24)17(23)16(22)15(7-20)27-19)14-6-12-5-11(10(2)21)3-4-13(12)26-14/h3-5,14-20,22-24H,1,6-8H2,2H3 TTWVIHLNMJFBMC-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteropolycyclic compounds Acetals Acetophenones Alkyl aryl ethers Aryl alkyl ketones Coumarans Hexoses Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Acetophenone Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Coumaran Ether Hexose monosaccharide Hydrocarbon derivative Ketone Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -0.50 ALOGPS logs -2.16 ALOGPS solubility 2.62e+00 g/l ALOGPS melting_point Mp 155° logp -0.6 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-[2-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethan-1-one ChemAxon average_mass 380.3891 ChemAxon mono_mass 380.147117744 ChemAxon smiles CC(=O)C1=CC2=C(OC(C2)C(=C)COC2OC(CO)C(O)C(O)C2O)C=C1 ChemAxon formula C19H24O8 ChemAxon inchi InChI=1S/C19H24O8/c1-9(8-25-19-18(24)17(23)16(22)15(7-20)27-19)14-6-12-5-11(10(2)21)3-4-13(12)26-14/h3-5,14-20,22-24H,1,6-8H2,2H3 ChemAxon inchikey TTWVIHLNMJFBMC-UHFFFAOYSA-N ChemAxon polar_surface_area 125.68 ChemAxon refractivity 93.54 ChemAxon polarizability 39.4 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15410 Specdb::CMs 45762 Specdb::CMs 163594 Specdb::MsMs 60393 Specdb::MsMs 60394 Specdb::MsMs 60395 Specdb::MsMs 116706 Specdb::MsMs 116707 Specdb::MsMs 116708 Specdb::MsMs 2277617 Specdb::MsMs 2277618 Specdb::MsMs 2277619 Specdb::MsMs 3088711 Specdb::MsMs 3088712 Specdb::MsMs 3088713 Specdb::NmrOneD 25722 Specdb::NmrOneD 25723 Specdb::NmrOneD 25724 Specdb::NmrOneD 25725 Specdb::NmrOneD 25726 Specdb::NmrOneD 25727 Specdb::NmrOneD 25728 Specdb::NmrOneD 25729 Specdb::NmrOneD 25730 Specdb::NmrOneD 25731 Specdb::NmrOneD 25732 Specdb::NmrOneD 25733 Specdb::NmrOneD 25734 Specdb::NmrOneD 25735 Specdb::NmrOneD 25736 Specdb::NmrOneD 25737 Specdb::NmrOneD 25738 Specdb::NmrOneD 25739 Specdb::NmrOneD 25740 Specdb::NmrOneD 25741 HMDB38328 #<Reference:0x000055ce3067bb60> 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