1.0 2010-04-08 22:14:18 UTC 2019-11-26 03:17:25 UTC FDB019368 b-D-Glucopyranuronosyl-(1->3)-a-D-galactopyranuronosyl-(1->2)-a-L-rhamnopyranosyl-(1->4)-[b-D-glucopyranuronosyl-(1->3)]-a-D-galactopyranuronosyl-(1->2)-L-rhamnopyranose Isolated from the hydrolysate of the mucilage in the roots of Abelmoschus manihot (aibika) and Althaea officinalis (marsh mallow). b-D-Glucopyranuronosyl-(1->3)-a-D-galactopyranuronosyl-(1->2)-a-L-rhamnopyranosyl-(1->4)-[b-D-glucopyranuronosyl-(1->3)]-a-D-galactopyranuronosyl-(1->2)-L-rhamnopyranose is found in many foods, some of which are herbs and spices, tea, green vegetables, and root vegetables. C36H54O33 1014.7942 1014.254734254 4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-{[3-({6-carboxy-4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,5-dihydroxyoxan-2-yl}oxy)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-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-{[3-({6-carboxy-4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,5-dihydroxyoxan-2-yl}oxy)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-[(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy]oxane-2-carboxylic acid 71562-84-0 CC1OC(O)C(OC2OC(C(OC3OC(C)C(O)C(O)C3OC3OC(C(O)C(OC4OC(C(O)C(O)C4O)C(O)=O)C3O)C(O)=O)C(OC3OC(C(O)C(O)C3O)C(O)=O)C2O)C(O)=O)C(O)C1O InChI=1S/C36H54O33/c1-3-5(37)9(41)23(31(58)59-3)66-35-17(49)19(62-33-14(46)8(40)12(44)21(64-33)28(52)53)25(26(69-35)30(56)57)68-36-24(10(42)6(38)4(2)60-36)67-34-16(48)18(15(47)22(65-34)29(54)55)61-32-13(45)7(39)11(43)20(63-32)27(50)51/h3-26,31-49,58H,1-2H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57) GIFHBZRJNAUTFG-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 Hemiacetals Hydrocarbon derivatives O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyrans Secondary alcohols Tetracarboxylic acids and derivatives 1-o-glucuronide Acetal Alcohol Aliphatic heteromonocyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative 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 Tetracarboxylic acid or derivatives logp -0.27 ALOGPS logs -1.12 ALOGPS solubility 7.63e+01 g/l ALOGPS melting_point Mp 172-176° dec. logp -8.4 ChemAxon pka_strongest_acidic 2.43 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-{[3-({6-carboxy-4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,5-dihydroxyoxan-2-yl}oxy)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-[(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy]oxane-2-carboxylic acid ChemAxon average_mass 1014.7942 ChemAxon mono_mass 1014.254734254 ChemAxon smiles CC1OC(O)C(OC2OC(C(OC3OC(C)C(O)C(O)C3OC3OC(C(O)C(OC4OC(C(O)C(O)C4O)C(O)=O)C3O)C(O)=O)C(OC3OC(C(O)C(O)C3O)C(O)=O)C2O)C(O)=O)C(O)C1O ChemAxon formula C36H54O33 ChemAxon inchi InChI=1S/C36H54O33/c1-3-5(37)9(41)23(31(58)59-3)66-35-17(49)19(62-33-14(46)8(40)12(44)21(64-33)28(52)53)25(26(69-35)30(56)57)68-36-24(10(42)6(38)4(2)60-36)67-34-16(48)18(15(47)22(65-34)29(54)55)61-32-13(45)7(39)11(43)20(63-32)27(50)51/h3-26,31-49,58H,1-2H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57) ChemAxon inchikey GIFHBZRJNAUTFG-UHFFFAOYSA-N ChemAxon polar_surface_area 533.95 ChemAxon refractivity 194.37 ChemAxon polarizability 90.64 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 33 ChemAxon donor_count 18 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 49941 Specdb::MsMs 49942 Specdb::MsMs 49943 Specdb::MsMs 130506 Specdb::MsMs 130507 Specdb::MsMs 130508 Specdb::MsMs 3044779 Specdb::MsMs 3044780 Specdb::MsMs 3044781 Specdb::MsMs 3099463 Specdb::MsMs 3099464 Specdb::MsMs 3099465 Specdb::NmrOneD 35642 Specdb::NmrOneD 35643 Specdb::NmrOneD 35644 Specdb::NmrOneD 35645 Specdb::NmrOneD 35646 Specdb::NmrOneD 35647 Specdb::NmrOneD 35648 Specdb::NmrOneD 35649 Specdb::NmrOneD 35650 Specdb::NmrOneD 35651 Specdb::NmrOneD 35652 Specdb::NmrOneD 35653 Specdb::NmrOneD 35654 Specdb::NmrOneD 35655 Specdb::NmrOneD 35656 Specdb::NmrOneD 35657 Specdb::NmrOneD 35658 Specdb::NmrOneD 35659 Specdb::NmrOneD 35660 Specdb::NmrOneD 35661 HMDB39729 #<Reference:0x000055ce32f3f010> Black tea Type 1 Green tea Type 1 Green vegetables Unknown generic Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Root vegetables Unknown generic Tea Type 1 specific Camellia sinensis 4442