1.0 2010-04-08 22:15:16 UTC 2019-11-26 03:19:28 UTC FDB020800 5a,6a-Epoxy-7E-megastigmene-3b,9e-diol 9-glucoside Constituent of Malus domestica (apple). 5a,6a-Epoxy-7E-megastigmene-3b,9e-diol 9-glucoside is found in pomes. 5a,6a-Epoxy-7E-megastigmene-3b,9e-diol 9-glucoside 5a,6a-Epoxy-7E-megastigmene-3b,9e-diol 9-O-b-D-glucopyranoside C19H32O8 388.4526 388.209718 2-{[(3E)-4-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}but-3-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[(3E)-4-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}but-3-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 172823-80-2 CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C12OC1(C)CC(O)CC2(C)C InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+ RIUMIKAUMHZQMP-AATRIKPKSA-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 heteropolycyclic compounds Acetals Alkyl glycosides Cyclic alcohols and derivatives Dialkyl ethers Epoxides Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Oxepanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Cyclic alcohol Dialkyl ether Ether Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Oxirane Polyol Primary alcohol Secondary alcohol logp 0.06 ALOGPS logs -1.90 ALOGPS solubility 4.92e+00 g/l ALOGPS logp -0.66 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 2-{[(3E)-4-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}but-3-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 388.4526 ChemAxon mono_mass 388.209718 ChemAxon smiles CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C12OC1(C)CC(O)CC2(C)C ChemAxon formula C19H32O8 ChemAxon inchi InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+ ChemAxon inchikey RIUMIKAUMHZQMP-AATRIKPKSA-N ChemAxon polar_surface_area 132.14 ChemAxon refractivity 95.59 ChemAxon polarizability 41.23 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15109 Specdb::CMs 45753 Specdb::CMs 137177 Specdb::CMs 144911 Specdb::MsMs 73848 Specdb::MsMs 73849 Specdb::MsMs 73850 Specdb::MsMs 133095 Specdb::MsMs 133096 Specdb::MsMs 133097 Specdb::MsMs 2454430 Specdb::MsMs 2454431 Specdb::MsMs 2454432 Specdb::MsMs 2484141 Specdb::MsMs 2484142 Specdb::MsMs 2484143 Specdb::NmrOneD 25582 Specdb::NmrOneD 25583 Specdb::NmrOneD 25584 Specdb::NmrOneD 25585 Specdb::NmrOneD 25586 Specdb::NmrOneD 25587 Specdb::NmrOneD 25588 Specdb::NmrOneD 25589 Specdb::NmrOneD 25590 Specdb::NmrOneD 25591 Specdb::NmrOneD 25592 Specdb::NmrOneD 25593 Specdb::NmrOneD 25594 Specdb::NmrOneD 25595 Specdb::NmrOneD 25596 Specdb::NmrOneD 25597 Specdb::NmrOneD 25598 Specdb::NmrOneD 25599 Specdb::NmrOneD 25600 Specdb::NmrOneD 25601 HMDB38306 #<Reference:0x000055ce318e8848> Pomes Unknown generic