1.0 2010-04-08 22:05:48 UTC 2025-11-18 22:52:34 UTC FDB003449 Portuloside A Constituent of Portulaca oleracea (purslane). Portuloside A is found in green vegetables. Portuloside A C16H26O7 330.3734 330.167853186 2,6-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octa-1,7-dien-3-one 2,6-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octa-1,7-dien-3-one 179983-86-9 CC(=C)C(=O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C InChI=1S/C16H26O7/c1-5-16(4,7-6-10(18)9(2)3)23-15-14(21)13(20)12(19)11(8-17)22-15/h5,11-15,17,19-21H,1-2,6-8H2,3-4H3 NERFSSPHKJBXKV-UHFFFAOYSA-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. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aliphatic heteromonocyclic compounds Acetals Acryloyl compounds Alkyl glycosides Alpha-branched alpha,beta-unsaturated ketones Enones Hexoses Hydrocarbon derivatives Ketones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Acryloyl-group Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Alpha,beta-unsaturated ketone Alpha-branched alpha,beta-unsaturated-ketone Carbonyl group Enone Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Ketone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -0.25 ALOGPS logs -1.38 ALOGPS solubility 1.37e+01 g/l ALOGPS logp 0.27 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2,6-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octa-1,7-dien-3-one ChemAxon average_mass 330.3734 ChemAxon mono_mass 330.167853186 ChemAxon smiles CC(=C)C(=O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C ChemAxon formula C16H26O7 ChemAxon inchi InChI=1S/C16H26O7/c1-5-16(4,7-6-10(18)9(2)3)23-15-14(21)13(20)12(19)11(8-17)22-15/h5,11-15,17,19-21H,1-2,6-8H2,3-4H3 ChemAxon inchikey NERFSSPHKJBXKV-UHFFFAOYSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 82.24 ChemAxon polarizability 34.35 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12462 Specdb::CMs 42457 Specdb::CMs 171853 Specdb::MsMs 80613 Specdb::MsMs 80614 Specdb::MsMs 80615 Specdb::MsMs 141525 Specdb::MsMs 141526 Specdb::MsMs 141527 Specdb::MsMs 2431987 Specdb::MsMs 2431988 Specdb::MsMs 2431989 Specdb::MsMs 2503295 Specdb::MsMs 2503296 Specdb::MsMs 2503297 Specdb::NmrOneD 163709 Specdb::NmrOneD 163710 Specdb::NmrOneD 163711 Specdb::NmrOneD 163712 Specdb::NmrOneD 163713 Specdb::NmrOneD 163714 Specdb::NmrOneD 163715 Specdb::NmrOneD 163716 Specdb::NmrOneD 163717 Specdb::NmrOneD 163718 Specdb::NmrOneD 163719 Specdb::NmrOneD 163720 Specdb::NmrOneD 163721 Specdb::NmrOneD 163722 Specdb::NmrOneD 163723 Specdb::NmrOneD 163724 Specdb::NmrOneD 163725 Specdb::NmrOneD 163726 Specdb::NmrOneD 163727 Specdb::NmrOneD 163728 HMDB31382 #<Reference:0x000055ce31802ac8> Green vegetables Unknown generic