1.0 2010-04-08 22:10:38 UTC 2019-11-26 03:08:17 UTC FDB013302 Methyl 3,4,5-trimethoxycinnamate [arabinosyl-(1->3)-[glucosyl-(1->6)]-glucosyl] ester Constituent of soybean molasses (Glycine species). Methyl 3,4,5-trimethoxycinnamate [arabinosyl-(1->3)-[glucosyl-(1->6)]-glucosyl] ester is found in pulses. (E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoic acid [a-L-arabinofuranosyl-(1->3)-[b-D-glucopyranosyl-(1->6)]-b-D-glucopyranosyl] ester Methyl 3,4,5-trimethoxycinnamate [a-L-arabinofuranosyl-(1->3)-[b-D-glucopyranosyl-(1->6)]-b-D-glucopyranosyl] ester Methyl 3,4,5-trimethoxycinnamate [arabinosyl-(1->3)-[glucosyl-(1->6)]-glucosyl] ester C29H42O19 694.6324 694.232029162 4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate 4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate 234761-04-7 COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C3O)C2O)=CC(OC)=C1OC InChI=1S/C29H42O19/c1-40-12-6-11(7-13(41-2)25(12)42-3)4-5-17(32)47-29-24(39)26(48-28-22(37)19(34)15(9-31)45-28)20(35)16(46-29)10-43-27-23(38)21(36)18(33)14(8-30)44-27/h4-7,14-16,18-24,26-31,33-39H,8-10H2,1-3H3/b5-4+ PQBHLKVDBLIZKB-SNAWJCMRSA-N belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Oligosaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Alkyl aryl ethers Anisoles Carbonyl compounds Coumaric acids and derivatives Enoate esters Fatty acid esters Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives O-cinnamoyl glycosides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols Styrenes Tetrahydrofurans Acetal Alcohol Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid or derivatives Enoate ester Ether Fatty acid ester Fatty acyl Glycosyl compound Hydrocarbon derivative Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety O-cinnamoyl glycoside O-glycosyl compound Oligosaccharide Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenoxy compound Polyol Primary alcohol Secondary alcohol Styrene Tetrahydrofuran logp -1.27 ALOGPS logs -1.86 ALOGPS solubility 9.50e+00 g/l ALOGPS logp -3.3 ChemAxon pka_strongest_acidic 11.77 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate ChemAxon average_mass 694.6324 ChemAxon mono_mass 694.232029162 ChemAxon smiles COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C3O)C2O)=CC(OC)=C1OC ChemAxon formula C29H42O19 ChemAxon inchi InChI=1S/C29H42O19/c1-40-12-6-11(7-13(41-2)25(12)42-3)4-5-17(32)47-29-24(39)26(48-28-22(37)19(34)15(9-31)45-28)20(35)16(46-29)10-43-27-23(38)21(36)18(33)14(8-30)44-27/h4-7,14-16,18-24,26-31,33-39H,8-10H2,1-3H3/b5-4+ ChemAxon inchikey PQBHLKVDBLIZKB-SNAWJCMRSA-N ChemAxon polar_surface_area 282.21 ChemAxon refractivity 153.74 ChemAxon polarizability 69.09 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 18 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 61920 Specdb::MsMs 61921 Specdb::MsMs 61922 Specdb::MsMs 118542 Specdb::MsMs 118543 Specdb::MsMs 118544 Specdb::MsMs 2336239 Specdb::MsMs 2336240 Specdb::MsMs 2336241 Specdb::MsMs 2629853 Specdb::MsMs 2629854 Specdb::MsMs 2629855 Specdb::CMs 14112 Specdb::CMs 744283 Specdb::CMs 744284 Specdb::CMs 744285 Specdb::CMs 744286 Specdb::CMs 744287 Specdb::CMs 744288 Specdb::CMs 744289 Specdb::CMs 744290 Specdb::CMs 744291 Specdb::CMs 744292 Specdb::CMs 744293 Specdb::CMs 744294 Specdb::CMs 744295 Specdb::CMs 744296 Specdb::CMs 744297 Specdb::CMs 744298 Specdb::CMs 744299 Specdb::CMs 744300 Specdb::CMs 744301 Specdb::CMs 744302 Specdb::CMs 744303 Specdb::CMs 744304 Specdb::CMs 744305 Specdb::CMs 744306 Specdb::NmrOneD 127558 Specdb::NmrOneD 127559 Specdb::NmrOneD 127560 Specdb::NmrOneD 127561 Specdb::NmrOneD 127562 Specdb::NmrOneD 127563 Specdb::NmrOneD 127564 Specdb::NmrOneD 127565 Specdb::NmrOneD 127566 Specdb::NmrOneD 127567 Specdb::NmrOneD 127568 Specdb::NmrOneD 127569 Specdb::NmrOneD 127570 Specdb::NmrOneD 127571 Specdb::NmrOneD 127572 Specdb::NmrOneD 127573 Specdb::NmrOneD 127574 Specdb::NmrOneD 127575 Specdb::NmrOneD 127576 Specdb::NmrOneD 127577 HMDB34756 #<Reference:0x000055ce31f5a578> Pulses Unknown generic