1.0 2010-04-08 22:15:47 UTC 2025-11-19 02:38:39 UTC FDB021571 4-Megastigmene-6a,9R-diol 9-[apiosyl-(1->6)-glucoside] Constituent of Cydonia vulgaris (quince). 4-Megastigmene-6a,9R-diol 9-[apiosyl-(1->6)-glucoside] is found in fruits. 4-Megastigmene-6a,9R-diol 9-[apiosyl-(1->6)-glucoside] 7,8-Dihydro-6a-hydroxy-a-ionol 9-[apiosyl-(1->6)-glucoside] 7,8-Dihydro-6a-hydroxy-a-ionol 9-O-[b-D-apiofuranosyl-(1->6)-b-D-glucopyranoside] 7,8-Dihydro-6a-hydroxy-a-ionol 9-O-[b-D-apiosyl-(1->6)-b-D-glucoside] C24H42O11 506.589 506.272712172 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[4-(1-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-yl]oxy}oxane-3,4,5-triol 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[4-(1-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-yl]oxy}oxane-3,4,5-triol 177261-74-4 CC(CCC1(O)C(C)=CCCC1(C)C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O InChI=1S/C24H42O11/c1-13-6-5-8-22(3,4)24(13,31)9-7-14(2)34-20-18(28)17(27)16(26)15(35-20)10-32-21-19(29)23(30,11-25)12-33-21/h6,14-21,25-31H,5,7-12H2,1-4H3 QWCOEYNCDIXGMI-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 Alkyl glycosides Disaccharides Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sesquiterpenoids Tertiary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Disaccharide Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Megastigmane sesquiterpenoid O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sesquiterpenoid Tertiary alcohol Tetrahydrofuran logp 0.11 ALOGPS logs -2.37 ALOGPS solubility 2.15e+00 g/l ALOGPS logp -0.76 ChemAxon pka_strongest_acidic 11.7 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[4-(1-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-yl]oxy}oxane-3,4,5-triol ChemAxon average_mass 506.589 ChemAxon mono_mass 506.272712172 ChemAxon smiles CC(CCC1(O)C(C)=CCCC1(C)C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O ChemAxon formula C24H42O11 ChemAxon inchi InChI=1S/C24H42O11/c1-13-6-5-8-22(3,4)24(13,31)9-7-14(2)34-20-18(28)17(27)16(26)15(35-20)10-32-21-19(29)23(30,11-25)12-33-21/h6,14-21,25-31H,5,7-12H2,1-4H3 ChemAxon inchikey QWCOEYNCDIXGMI-UHFFFAOYSA-N ChemAxon polar_surface_area 178.53 ChemAxon refractivity 122.58 ChemAxon polarizability 53.39 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22771 Specdb::CMs 47391 Specdb::NmrOneD 47662 Specdb::NmrOneD 47663 Specdb::NmrOneD 47664 Specdb::NmrOneD 47665 Specdb::NmrOneD 47666 Specdb::NmrOneD 47667 Specdb::NmrOneD 47668 Specdb::NmrOneD 47669 Specdb::NmrOneD 47670 Specdb::NmrOneD 47671 Specdb::NmrOneD 47672 Specdb::NmrOneD 47673 Specdb::NmrOneD 47674 Specdb::NmrOneD 47675 Specdb::NmrOneD 47676 Specdb::NmrOneD 47677 Specdb::NmrOneD 47678 Specdb::NmrOneD 47679 Specdb::NmrOneD 47680 Specdb::NmrOneD 47681 Specdb::MsMs 7502 Specdb::MsMs 7503 Specdb::MsMs 7504 Specdb::MsMs 14174 Specdb::MsMs 14175 Specdb::MsMs 14176 Specdb::MsMs 2455180 Specdb::MsMs 2455181 Specdb::MsMs 2455182 Specdb::MsMs 2479597 Specdb::MsMs 2479598 Specdb::MsMs 2479599 HMDB41580 #<Reference:0x000055ce31bec670> Fruits Unknown generic