1.0 2010-04-08 22:14:18 UTC 2025-11-19 02:19:16 UTC FDB019367 b-D-Glucuronopyranosyl-(1->3)-a-D-galacturonopyranosyl-(1->2)-L-rhamnose Isolated from the partial acid hydrolsates of the mucilage of Abelmoschus manihot (aibika) and Okra mucilage R in fruits and roots of Abelmoschus esculentus. b-D-Glucuronopyranosyl-(1->3)-a-D-galacturonopyranosyl-(1->2)-L-rhamnose is found in many foods, some of which are coffee and coffee products, fruits, fats and oils, and green vegetables. b-D-Glucopyranuronosyl-(1->3)-a-D-galactopyranuronosyl-(1->2)-6-deoxy-L-mannose, 9CI C18H28O17 516.4047 516.13264947 4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,5-dihydroxy-6-[(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy]oxane-2-carboxylic acid 4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,5-dihydroxy-6-[(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy]oxane-2-carboxylic acid 13283-31-3 CC1OC(O)C(OC2OC(C(O)C(OC3OC(C(O)C(O)C3O)C(O)=O)C2O)C(O)=O)C(O)C1O InChI=1S/C18H28O17/c1-2-3(19)5(21)13(16(30)31-2)35-18-9(25)10(8(24)12(34-18)15(28)29)32-17-7(23)4(20)6(22)11(33-17)14(26)27/h2-13,16-25,30H,1H3,(H,26,27)(H,28,29) ZQXWNXNNCNMCTA-UHFFFAOYSA-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 Aliphatic heteromonocyclic compounds Acetals Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hemiacetals Hydrocarbon derivatives O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyrans Secondary alcohols 1-o-glucuronide Acetal Alcohol Aliphatic heteromonocyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Glucuronic acid or derivatives Glycosyl compound Hemiacetal Hydrocarbon derivative Hydroxy acid O-glucuronide O-glycosyl compound Oligosaccharide Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Pyran Secondary alcohol logp -1.44 ALOGPS logs -0.74 ALOGPS solubility 9.31e+01 g/l ALOGPS logp -4.8 ChemAxon pka_strongest_acidic 2.74 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,5-dihydroxy-6-[(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy]oxane-2-carboxylic acid ChemAxon average_mass 516.4047 ChemAxon mono_mass 516.13264947 ChemAxon smiles CC1OC(O)C(OC2OC(C(O)C(OC3OC(C(O)C(O)C3O)C(O)=O)C2O)C(O)=O)C(O)C1O ChemAxon formula C18H28O17 ChemAxon inchi InChI=1S/C18H28O17/c1-2-3(19)5(21)13(16(30)31-2)35-18-9(25)10(8(24)12(34-18)15(28)29)32-17-7(23)4(20)6(22)11(33-17)14(26)27/h2-13,16-25,30H,1H3,(H,26,27)(H,28,29) ChemAxon inchikey ZQXWNXNNCNMCTA-UHFFFAOYSA-N ChemAxon polar_surface_area 282.59 ChemAxon refractivity 98.94 ChemAxon polarizability 45.98 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 17 ChemAxon donor_count 10 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 35622 Specdb::NmrOneD 35623 Specdb::NmrOneD 35624 Specdb::NmrOneD 35625 Specdb::NmrOneD 35626 Specdb::NmrOneD 35627 Specdb::NmrOneD 35628 Specdb::NmrOneD 35629 Specdb::NmrOneD 35630 Specdb::NmrOneD 35631 Specdb::NmrOneD 35632 Specdb::NmrOneD 35633 Specdb::NmrOneD 35634 Specdb::NmrOneD 35635 Specdb::NmrOneD 35636 Specdb::NmrOneD 35637 Specdb::NmrOneD 35638 Specdb::NmrOneD 35639 Specdb::NmrOneD 35640 Specdb::NmrOneD 35641 Specdb::MsMs 10772 Specdb::MsMs 10773 Specdb::MsMs 10774 Specdb::MsMs 17444 Specdb::MsMs 17445 Specdb::MsMs 17446 Specdb::MsMs 2387294 Specdb::MsMs 2387295 Specdb::MsMs 2387296 Specdb::MsMs 2577873 Specdb::MsMs 2577874 Specdb::MsMs 2577875 Specdb::CMs 18670 Specdb::CMs 46541 Specdb::CMs 177796 Specdb::CMs 177797 Specdb::CMs 177798 Specdb::CMs 177799 Specdb::CMs 177800 Specdb::CMs 177801 Specdb::CMs 177802 Specdb::CMs 177803 Specdb::CMs 177804 Specdb::CMs 177805 Specdb::CMs 177806 Specdb::CMs 177807 Specdb::CMs 177808 Specdb::CMs 177809 Specdb::CMs 177810 Specdb::CMs 177811 Specdb::CMs 177812 Specdb::CMs 177813 Specdb::CMs 177814 Specdb::CMs 177815 Specdb::CMs 177816 Specdb::CMs 177817 Specdb::CMs 177818 HMDB39728 #<Reference:0x000055ce32594fb0> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Fats and oils Unknown generic Fruits Unknown generic Green vegetables Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390