1.0 2010-04-08 22:13:02 UTC 2018-05-29 01:31:01 UTC FDB017342 6-O-Oleuropeoylsucrose Constituent of the root bark of the olive (Olea europaea) 6-[4-(1-Hydroxy-1-methylethyl)-1-cyclohexene-1-carboxylate] sucrose, 8CI C22H36O13 508.5134 508.215591238 [(2R,3S,4S,5R,6R)-6-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carboxylate [(2R,3S,4S,5R,6R)-6-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carboxylate 17651-05-7 CC(C)(O)C1CCC(=CC1)C(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C22H36O13/c1-21(2,31)11-5-3-10(4-6-11)19(30)32-8-13-14(25)16(27)17(28)20(33-13)35-22(9-24)18(29)15(26)12(7-23)34-22/h3,11-18,20,23-29,31H,4-9H2,1-2H3/t11?,12-,13-,14-,15-,16+,17-,18+,20-,22+/m1/s1 NRXDBALRMKOHET-QWENIEMVSA-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 Aliphatic heteromonocyclic compounds C-glycosyl compounds Carbonyl compounds Disaccharides Enoate esters Hydrocarbon derivatives Ketals Menthane monoterpenoids Monocarboxylic acids and derivatives Monocyclic monoterpenoids O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester C-glycosyl compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Disaccharide Enoate ester Glycosyl compound Hydrocarbon derivative Ketal Monocarboxylic acid or derivatives Monocyclic monoterpenoid Monoterpenoid O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-menthane monoterpenoid Polyol Primary alcohol Saccharolipid Secondary alcohol Tertiary alcohol Tetrahydrofuran logp -1.37 ALOGPS logs -1.61 ALOGPS solubility 1.24e+01 g/l ALOGPS melting_point Mp 199-200° logp -2.3 ChemAxon pka_strongest_acidic 11.84 ChemAxon pka_strongest_basic -0.87 ChemAxon iupac [(2R,3S,4S,5R,6R)-6-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carboxylate ChemAxon average_mass 508.5134 ChemAxon mono_mass 508.215591238 ChemAxon smiles CC(C)(O)C1CCC(=CC1)C(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C22H36O13 ChemAxon inchi InChI=1S/C22H36O13/c1-21(2,31)11-5-3-10(4-6-11)19(30)32-8-13-14(25)16(27)17(28)20(33-13)35-22(9-24)18(29)15(26)12(7-23)34-22/h3,11-18,20,23-29,31H,4-9H2,1-2H3/t11?,12-,13-,14-,15-,16+,17-,18+,20-,22+/m1/s1 ChemAxon inchikey NRXDBALRMKOHET-QWENIEMVSA-N ChemAxon polar_surface_area 215.83 ChemAxon refractivity 115.46 ChemAxon polarizability 50.25 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15610 Specdb::CMs 45690 Specdb::CMs 171352 Specdb::CMs 280698 Specdb::NmrOneD 24982 Specdb::NmrOneD 24983 Specdb::NmrOneD 24984 Specdb::NmrOneD 24985 Specdb::NmrOneD 24986 Specdb::NmrOneD 24987 Specdb::NmrOneD 24988 Specdb::NmrOneD 24989 Specdb::NmrOneD 24990 Specdb::NmrOneD 24991 Specdb::NmrOneD 24992 Specdb::NmrOneD 24993 Specdb::NmrOneD 24994 Specdb::NmrOneD 24995 Specdb::NmrOneD 24996 Specdb::NmrOneD 24997 Specdb::NmrOneD 24998 Specdb::NmrOneD 24999 Specdb::NmrOneD 25000 Specdb::NmrOneD 25001 Specdb::MsMs 92868 Specdb::MsMs 92869 Specdb::MsMs 92870 Specdb::MsMs 156552 Specdb::MsMs 156553 Specdb::MsMs 156554 Specdb::MsMs 2827086 Specdb::MsMs 2827087 Specdb::MsMs 2827088 Specdb::MsMs 2851405 Specdb::MsMs 2851406 Specdb::MsMs 2851407 HMDB38117 #<Reference:0x000055ce31f198c0>