1.0 2010-04-08 22:12:59 UTC 2019-11-26 03:14:33 UTC FDB017254 Isovitexin 2''-(6'''-feruloylglucoside) 4'-glucoside Constituent of Cucumis sativus (cucumber). Isovitexin 2''-(6'''-feruloylglucoside) 4'-glucoside is found in cucumber and fruits. Isovitexin 2''-(6'''-feruloylglucoside) 4'-glucoside Isovitexin 2''-[feruloyl-(->6)-glucoside] 4'-glucoside Isovitexin 2''-O-[4-hydroxy-3-methoxy-E-cinnamoyl-(->6)-b-D-glucopyranosyl] 4'-O-b-D-glucopyranoside C43H48O23 932.8274 932.258637842 [6-({2-[5,7-dihydroxy-4-oxo-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate [6-({2-[5,7-dihydroxy-4-oxo-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 38953-85-4 COC1=C(O)C=CC(\C=C\C(=O)OCC2OC(OC3C(O)C(O)C(CO)OC3C3=C(O)C4=C(OC(=CC4=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)C=C3O)C(O)C(O)C2O)=C1 InChI=1S/C43H48O23/c1-59-23-10-16(2-8-19(23)46)3-9-28(49)60-15-27-33(52)36(55)39(58)43(65-27)66-41-37(56)32(51)25(13-44)63-40(41)30-21(48)12-24-29(34(30)53)20(47)11-22(62-24)17-4-6-18(7-5-17)61-42-38(57)35(54)31(50)26(14-45)64-42/h2-12,25-27,31-33,35-46,48,50-58H,13-15H2,1H3/b9-3+ NKQNBGQKLCZRCJ-YCRREMRBSA-N belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Menthane monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-menthane monoterpenoid logp 0.69 ALOGPS logs -2.95 ALOGPS solubility 1.05e+00 g/l ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 6.2 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac [6-({2-[5,7-dihydroxy-4-oxo-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate ChemAxon average_mass 932.8274 ChemAxon mono_mass 932.258637842 ChemAxon smiles COC1=C(O)C=CC(\C=C\C(=O)OCC2OC(OC3C(O)C(O)C(CO)OC3C3=C(O)C4=C(OC(=CC4=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)C=C3O)C(O)C(O)C2O)=C1 ChemAxon formula C43H48O23 ChemAxon inchi InChI=1S/C43H48O23/c1-59-23-10-16(2-8-19(23)46)3-9-28(49)60-15-27-33(52)36(55)39(58)43(65-27)66-41-37(56)32(51)25(13-44)63-40(41)30-21(48)12-24-29(34(30)53)20(47)11-22(62-24)17-4-6-18(7-5-17)61-42-38(57)35(54)31(50)26(14-45)64-42/h2-12,25-27,31-33,35-46,48,50-58H,13-15H2,1H3/b9-3+ ChemAxon inchikey NKQNBGQKLCZRCJ-YCRREMRBSA-N ChemAxon polar_surface_area 370.97 ChemAxon refractivity 218.6 ChemAxon polarizability 91.64 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 22 ChemAxon donor_count 13 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 24662 Specdb::NmrOneD 24663 Specdb::NmrOneD 24664 Specdb::NmrOneD 24665 Specdb::NmrOneD 24666 Specdb::NmrOneD 24667 Specdb::NmrOneD 24668 Specdb::NmrOneD 24669 Specdb::NmrOneD 24670 Specdb::NmrOneD 24671 Specdb::NmrOneD 24672 Specdb::NmrOneD 24673 Specdb::NmrOneD 24674 Specdb::NmrOneD 24675 Specdb::NmrOneD 24676 Specdb::NmrOneD 24677 Specdb::NmrOneD 24678 Specdb::NmrOneD 24679 Specdb::NmrOneD 24680 Specdb::NmrOneD 24681 Specdb::MsMs 94479 Specdb::MsMs 94480 Specdb::MsMs 94481 Specdb::MsMs 158511 Specdb::MsMs 158512 Specdb::MsMs 158513 Specdb::MsMs 2426611 Specdb::MsMs 2426612 Specdb::MsMs 2426613 Specdb::MsMs 2511693 Specdb::MsMs 2511694 Specdb::MsMs 2511695 HMDB38044 #<Reference:0x00007f093c090320> Cucumber Type 1 specific Cucumis sativus 3659 Fruits Unknown generic