1.0 2010-04-08 22:12:29 UTC 2019-11-26 03:13:25 UTC FDB016538 Leptosin Isolated from European cranberry (Vaccinium oxycoccus) fruits. Leptosin is found in fruits. Leptosin C22H22O11 462.4035 462.116211546 (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-3-one (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-3-one 486-23-7 COC1=C2O\C(=C/C3=CC=C(O)C(O)=C3)C(=O)C2=CC=C1OC1OC(CO)C(O)C(O)C1O InChI=1S/C22H22O11/c1-30-21-13(32-22-19(29)18(28)17(27)15(8-23)33-22)5-3-10-16(26)14(31-20(10)21)7-9-2-4-11(24)12(25)6-9/h2-7,15,17-19,22-25,27-29H,8H2,1H3/b14-7- NXOKVARAWXQHGX-AUWJEWJLSA-N belongs to the class of organic compounds known as aurone o-glycosides. These are aurone flavonoids containing a carbohydrate moiety O-glycosidically bound to the aurone skeleton. Aurone O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Aryl ketones Aurone flavonoids Benzene and substituted derivatives Benzofurans Catechols Coumarans Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl ketone Aurone Aurone-6-o-glycoside Benzenoid Benzofuran Catechol Coumaran Ether Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Ketone Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Secondary alcohol logp 0.69 ALOGPS logs -2.90 ALOGPS solubility 5.88e-01 g/l ALOGPS melting_point Mp 229-231° dec. logp -0.13 ChemAxon pka_strongest_acidic 8.83 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-3-one ChemAxon average_mass 462.4035 ChemAxon mono_mass 462.116211546 ChemAxon smiles COC1=C2O\C(=C/C3=CC=C(O)C(O)=C3)C(=O)C2=CC=C1OC1OC(CO)C(O)C(O)C1O ChemAxon formula C22H22O11 ChemAxon inchi InChI=1S/C22H22O11/c1-30-21-13(32-22-19(29)18(28)17(27)15(8-23)33-22)5-3-10-16(26)14(31-20(10)21)7-9-2-4-11(24)12(25)6-9/h2-7,15,17-19,22-25,27-29H,8H2,1H3/b14-7- ChemAxon inchikey NXOKVARAWXQHGX-AUWJEWJLSA-N ChemAxon polar_surface_area 175.37 ChemAxon refractivity 111.6 ChemAxon polarizability 45.16 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26135 Specdb::CMs 45407 Specdb::CMs 150136 Specdb::NmrOneD 141250 Specdb::NmrOneD 141251 Specdb::NmrOneD 141252 Specdb::NmrOneD 141253 Specdb::NmrOneD 141254 Specdb::NmrOneD 141255 Specdb::NmrOneD 141256 Specdb::NmrOneD 141257 Specdb::NmrOneD 141258 Specdb::NmrOneD 141259 Specdb::NmrOneD 141260 Specdb::NmrOneD 141261 Specdb::NmrOneD 141262 Specdb::NmrOneD 141263 Specdb::NmrOneD 141264 Specdb::NmrOneD 141265 Specdb::NmrOneD 141266 Specdb::NmrOneD 141267 Specdb::NmrOneD 141268 Specdb::NmrOneD 141269 Specdb::MsMs 95889 Specdb::MsMs 95890 Specdb::MsMs 95891 Specdb::MsMs 160257 Specdb::MsMs 160258 Specdb::MsMs 160259 Specdb::MsMs 2349439 Specdb::MsMs 2349440 Specdb::MsMs 2349441 Specdb::MsMs 2588881 Specdb::MsMs 2588882 Specdb::MsMs 2588883 HMDB37473 #<Reference:0x000055ce31874830> Fruits Unknown generic