1.0 2016-09-30 23:24:00 UTC 2020-04-22 15:18:03 UTC BMDB0006601 BMDB06601 B-Trisaccharide 3-O-(alpha-D-Galactopyranosyl)-2-O-(alpha-L-fucopyranosyl)-D-galactose 3-O-(alpha-delta-Galactopyranosyl)-2-O-(alpha-L-fucopyranosyl)-delta-galactose beta-Trisaccharide O-6-Deoxy-alpha-L-galactopyranosyl-(1->2)-O-[alpha-D-galactopyranosyl-(1->3)]- D-galactose O-6-Deoxy-alpha-L-galactopyranosyl-(1->2)-O-[alpha-delta-galactopyranosyl-(1->3)]- D-galactose b-Trisaccharide Β-trisaccharide C18H32O15 488.4377 488.174120354 (2R,3S,4S)-4,5,6-trihydroxy-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexanal (2R,3S,4S)-4,5,6-trihydroxy-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexanal 49777-14-2 [H][C@](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)([C@@H](O)C(O)CO)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C=O InChI=1S/C18H32O15/c1-5-9(23)12(26)14(28)17(30-5)32-8(4-21)16(10(24)6(22)2-19)33-18-15(29)13(27)11(25)7(3-20)31-18/h4-20,22-29H,2-3H2,1H3/t5-,6?,7+,8-,9+,10-,11-,12+,13-,14-,15+,16+,17-,18+/m0/s1 OZIOWHWTZWIMCZ-ZAATXKLJSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Fatty acyl glycosides of mono- and disaccharides Acetals Aldehydes Alkyl glycosides Disaccharides Fatty alcohols Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aldehyde Aliphatic heteromonocyclic compound Alkyl glycoside Carbonyl group Disaccharide Fatty acyl glycoside of mono- or disaccharide Fatty alcohol Glycosyl compound Hydrocarbon derivative O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Aliphatic heteromonocyclic compounds Solid logp -2.46 ALOGPS logs -0.32 ALOGPS logp -6.1 ChemAxon pka_strongest_acidic 11.67 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (2R,3S,4S)-4,5,6-trihydroxy-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexanal ChemAxon average_mass 488.4377 ChemAxon mono_mass 488.174120354 ChemAxon smiles [H][C@](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)([C@@H](O)C(O)CO)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C=O ChemAxon formula C18H32O15 ChemAxon inchi InChI=1S/C18H32O15/c1-5-9(23)12(26)14(28)17(30-5)32-8(4-21)16(10(24)6(22)2-19)33-18-15(29)13(27)11(25)7(3-20)31-18/h4-20,22-29H,2-3H2,1H3/t5-,6?,7+,8-,9+,10-,11-,12+,13-,14-,15+,16+,17-,18+/m0/s1 ChemAxon inchikey OZIOWHWTZWIMCZ-ZAATXKLJSA-N ChemAxon polar_surface_area 256.29 ChemAxon refractivity 100.63 ChemAxon polarizability 44.73 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 15 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 81412 Specdb::NmrOneD 81413 Specdb::NmrOneD 81414 Specdb::NmrOneD 81415 Specdb::NmrOneD 81416 Specdb::NmrOneD 81417 Specdb::NmrOneD 81418 Specdb::NmrOneD 81419 Specdb::NmrOneD 81420 Specdb::NmrOneD 81421 Specdb::NmrOneD 81422 Specdb::NmrOneD 81423 Specdb::NmrOneD 81424 Specdb::NmrOneD 81425 Specdb::NmrOneD 81426 Specdb::NmrOneD 81427 Specdb::NmrOneD 81428 Specdb::NmrOneD 81429 Specdb::NmrOneD 81430 Specdb::NmrOneD 81431 Specdb::CMs 23854 Specdb::CMs 39054 Specdb::CMs 157399 Specdb::CMs 164217 Specdb::CMs 164219 Specdb::CMs 164222 Specdb::CMs 164224 Specdb::CMs 164227 Specdb::CMs 164229 Specdb::CMs 164231 Specdb::CMs 164233 Specdb::CMs 164236 Specdb::CMs 164238 Specdb::CMs 164240 Specdb::CMs 164242 Specdb::CMs 164244 Specdb::CMs 164246 Specdb::CMs 164248 Specdb::CMs 164250 Specdb::CMs 164252 Specdb::CMs 164254 Specdb::CMs 164256 Specdb::CMs 164258 Specdb::CMs 164261 Specdb::CMs 164263 Specdb::MsMs 318844 Specdb::MsMs 318845 Specdb::MsMs 318846 Specdb::MsMs 365773 Specdb::MsMs 365774 Specdb::MsMs 365775 Specdb::MsMs 2729953 Specdb::MsMs 2729954 Specdb::MsMs 2729955 Specdb::MsMs 2975573 Specdb::MsMs 2975574 Specdb::MsMs 2975575 FDB023995 35016011 53477865 Trisaccharide