1.0 2010-04-08 22:12:59 UTC 2019-11-26 03:14:32 UTC FDB017253 Isovitexin 2''-(6'''-p-coumaroylglucoside) 4'-glucoside Constituent of Cucumis sativus (cucumber). Isovitexin 2''-(6'''-p-coumaroylglucoside) 4'-glucoside is found in cucumber and fruits. Isovitexin 2''-(6'''-p-coumaroylglucoside) 4'-glucoside Isovitexin 2''-O-[4-hydroxy-(E)-cinnamoyl-(->6)-beta-D-glucopyranosyl] 4'-O-beta-D-glucopyranoside C42H46O22 902.8014 902.248073156 [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-hydroxyphenyl)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-hydroxyphenyl)prop-2-enoate 38953-85-4 OCC1OC(OC2=CC=C(C=C2)C2=CC(=O)C3=C(O2)C=C(O)C(C2OC(CO)C(O)C(O)C2OC2OC(COC(=O)\C=C\C4=CC=C(O)C=C4)C(O)C(O)C2O)=C3O)C(O)C(O)C1O InChI=1S/C42H46O22/c43-13-24-31(50)36(55)40(64-42-38(57)35(54)32(51)26(63-42)15-58-27(48)10-3-16-1-6-18(45)7-2-16)39(61-24)29-21(47)12-23-28(33(29)52)20(46)11-22(60-23)17-4-8-19(9-5-17)59-41-37(56)34(53)30(49)25(14-44)62-41/h1-12,24-26,30-32,34-45,47,49-57H,13-15H2/b10-3+ QYVCMCHTBHFWCZ-XCVCLJGOSA-N belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Flavonoid O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals C-glycosyl compounds Carbonyl compounds Chromones Cinnamic acid esters Coumaric acid esters Coumaric acids and derivatives Dialkyl ethers Disaccharides Enoate esters Fatty acid esters Flavones Flavonoid C-glycosides Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Styrenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Benzenoid Benzopyran C-glycosyl compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid ester Coumaric acid or derivatives Dialkyl ether Disaccharide Enoate ester Ether Fatty acid ester Fatty acyl Flavone Flavonoid c-glycoside Flavonoid o-glycoside Flavonoid-4p-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxycinnamic acid or derivatives Hydroxyflavonoid Monocarboxylic acid or derivatives Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Styrene Vinylogous acid logp 0.59 ALOGPS logs -2.87 ALOGPS solubility 1.23e+00 g/l ALOGPS logp -1.4 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-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 902.8014 ChemAxon mono_mass 902.248073156 ChemAxon smiles OCC1OC(OC2=CC=C(C=C2)C2=CC(=O)C3=C(O2)C=C(O)C(C2OC(CO)C(O)C(O)C2OC2OC(COC(=O)\C=C\C4=CC=C(O)C=C4)C(O)C(O)C2O)=C3O)C(O)C(O)C1O ChemAxon formula C42H46O22 ChemAxon inchi InChI=1S/C42H46O22/c43-13-24-31(50)36(55)40(64-42-38(57)35(54)32(51)26(63-42)15-58-27(48)10-3-16-1-6-18(45)7-2-16)39(61-24)29-21(47)12-23-28(33(29)52)20(46)11-22(60-23)17-4-8-19(9-5-17)59-41-37(56)34(53)30(49)25(14-44)62-41/h1-12,24-26,30-32,34-45,47,49-57H,13-15H2/b10-3+ ChemAxon inchikey QYVCMCHTBHFWCZ-XCVCLJGOSA-N ChemAxon polar_surface_area 361.74 ChemAxon refractivity 212.14 ChemAxon polarizability 88.75 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 21 ChemAxon donor_count 13 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 24642 Specdb::NmrOneD 24643 Specdb::NmrOneD 24644 Specdb::NmrOneD 24645 Specdb::NmrOneD 24646 Specdb::NmrOneD 24647 Specdb::NmrOneD 24648 Specdb::NmrOneD 24649 Specdb::NmrOneD 24650 Specdb::NmrOneD 24651 Specdb::NmrOneD 24652 Specdb::NmrOneD 24653 Specdb::NmrOneD 24654 Specdb::NmrOneD 24655 Specdb::NmrOneD 24656 Specdb::NmrOneD 24657 Specdb::NmrOneD 24658 Specdb::NmrOneD 24659 Specdb::NmrOneD 24660 Specdb::NmrOneD 24661 Specdb::MsMs 67611 Specdb::MsMs 67612 Specdb::MsMs 67613 Specdb::MsMs 125466 Specdb::MsMs 125467 Specdb::MsMs 125468 Specdb::MsMs 2446909 Specdb::MsMs 2446910 Specdb::MsMs 2446911 Specdb::MsMs 2518407 Specdb::MsMs 2518408 Specdb::MsMs 2518409 HMDB38043 #<Reference:0x000055ce305254a0> Cucumber Type 1 specific Cucumis sativus 3659 Fruits Unknown generic