1.0 2010-04-08 22:14:01 UTC 2019-11-26 03:16:53 UTC FDB018923 Isolimonic acid glucoside Constituent of Citrus aurantium. Isolimonic acid glucoside is found in citrus. Isolimonic acid 17-glucoside Isolimonic acid 17-O-b-D-glucopyranoside Isolimonic acid 17-O-b-D-glucoside Isolimonic acid 17-O-glucoside Isolimonic acid glucoside C32H44O15 668.6828 668.268020738 9b-(2-carboxy-1-hydroxyethyl)-7-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-3,3,5a,7-tetramethyl-5-oxo-decahydro-1H-spiro[naphtho[1,2-c]furan-6,2'-oxirane]-3'-carboxylic acid 9b-(2-carboxy-1-hydroxyethyl)-7-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-3,3,5a,7-tetramethyl-5-oxo-hexahydrospiro[naphtho[1,2-c]furan-6,2'-oxirane]-3'-carboxylic acid 617-45-8 CC1(C)OCC2(C(O)CC(O)=O)C1CC(=O)C1(C)C2CCC(C)(C(OC2OC(CO)C(O)C(O)C2O)C2=COC=C2)C11OC1C(O)=O InChI=1S/C32H44O15/c1-28(2)17-9-18(34)30(4)16(31(17,13-44-28)19(35)10-20(36)37)5-7-29(3,32(30)25(47-32)26(41)42)24(14-6-8-43-12-14)46-27-23(40)22(39)21(38)15(11-33)45-27/h6,8,12,15-17,19,21-25,27,33,35,38-40H,5,7,9-11,13H2,1-4H3,(H,36,37)(H,41,42) KEITVHVZENPMPG-UHFFFAOYSA-N belongs to the class of organic compounds known as saccharolipids. Saccharolipids are compounds in which fatty acids are linked directly to a sugar backbone, forming structures that are compatible with membrane bilayers. In the saccharolipids, a sugar substitutes for the glycerol backbone that is present in glycerolipids and glycerophospholipids. The most familiar saccharolipids contain an acylated glucosamine. In contrast to others glycolipids, the fatty acid is not glycosidically linked to the sugar moiety. Saccharolipids Organic compounds Lipids and lipid-like molecules Saccharolipids Aromatic heteropolycyclic compounds Acetals Beta hydroxy acids and derivatives Carbocyclic fatty acids Carboxylic acids Dialkyl ethers Dicarboxylic acids and derivatives Furans Heteroaromatic compounds Hexoses Hydrocarbon derivatives Hydroxy fatty acids Ketones Naphthofurans O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Oxirane carboxylic acids Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Acetal Alcohol Aromatic heteropolycyclic compound Beta-hydroxy acid Carbocyclic fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Dicarboxylic acid or derivatives Ether Fatty acyl Furan Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Ketone Monosaccharide Naphthofuran O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxirane Oxirane carboxylic acid Oxirane carboxylic acid or derivatives Polyol Primary alcohol Saccharolipid Secondary alcohol Tetrahydrofuran logp 0.69 ALOGPS logs -2.53 ALOGPS solubility 1.99e+00 g/l ALOGPS logp -0.64 ChemAxon pka_strongest_acidic 3.68 ChemAxon pka_strongest_basic -3 ChemAxon iupac 9b-(2-carboxy-1-hydroxyethyl)-7-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-3,3,5a,7-tetramethyl-5-oxo-decahydro-1H-spiro[naphtho[1,2-c]furan-6,2'-oxirane]-3'-carboxylic acid ChemAxon average_mass 668.6828 ChemAxon mono_mass 668.268020738 ChemAxon smiles CC1(C)OCC2(C(O)CC(O)=O)C1CC(=O)C1(C)C2CCC(C)(C(OC2OC(CO)C(O)C(O)C2O)C2=COC=C2)C11OC1C(O)=O ChemAxon formula C32H44O15 ChemAxon inchi InChI=1S/C32H44O15/c1-28(2)17-9-18(34)30(4)16(31(17,13-44-28)19(35)10-20(36)37)5-7-29(3,32(30)25(47-32)26(41)42)24(14-6-8-43-12-14)46-27-23(40)22(39)21(38)15(11-33)45-27/h6,8,12,15-17,19,21-25,27,33,35,38-40H,5,7,9-11,13H2,1-4H3,(H,36,37)(H,41,42) ChemAxon inchikey KEITVHVZENPMPG-UHFFFAOYSA-N ChemAxon polar_surface_area 246.18 ChemAxon refractivity 154.12 ChemAxon polarizability 65.37 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 14 ChemAxon donor_count 7 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25959 Specdb::CMs 701105 Specdb::CMs 701106 Specdb::CMs 701107 Specdb::CMs 701108 Specdb::CMs 701109 Specdb::CMs 701110 Specdb::CMs 701111 Specdb::CMs 701112 Specdb::CMs 701113 Specdb::CMs 701114 Specdb::CMs 701115 Specdb::CMs 701116 Specdb::CMs 701117 Specdb::CMs 701118 Specdb::CMs 701119 Specdb::CMs 701120 Specdb::CMs 701121 Specdb::CMs 701122 Specdb::CMs 701123 Specdb::CMs 701124 Specdb::CMs 701125 Specdb::CMs 701126 Specdb::CMs 701127 Specdb::CMs 701128 Specdb::NmrOneD 32502 Specdb::NmrOneD 32503 Specdb::NmrOneD 32504 Specdb::NmrOneD 32505 Specdb::NmrOneD 32506 Specdb::NmrOneD 32507 Specdb::NmrOneD 32508 Specdb::NmrOneD 32509 Specdb::NmrOneD 32510 Specdb::NmrOneD 32511 Specdb::NmrOneD 32512 Specdb::NmrOneD 32513 Specdb::NmrOneD 32514 Specdb::NmrOneD 32515 Specdb::NmrOneD 32516 Specdb::NmrOneD 32517 Specdb::NmrOneD 32518 Specdb::NmrOneD 32519 Specdb::NmrOneD 32520 Specdb::NmrOneD 32521 Specdb::MsMs 68418 Specdb::MsMs 68419 Specdb::MsMs 68420 Specdb::MsMs 126444 Specdb::MsMs 126445 Specdb::MsMs 126446 Specdb::MsMs 2294031 Specdb::MsMs 2294032 Specdb::MsMs 2294033 Specdb::MsMs 2641330 Specdb::MsMs 2641331 Specdb::MsMs 2641332 HMDB39365 #<Reference:0x000055ce31e0bca8> Citrus Unknown generic