1.0 2010-04-08 22:15:47 UTC 2025-11-19 02:38:38 UTC FDB021570 7,8-Dihydro-3b,6a-dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] Constituent of Cydonia vulgaris (quince). 7,8-Dihydro-3b,6a-dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] is found in fruits. (3b,6a,7E,9x)-7,8-Dihydro-4,7-megastigmadiene-3,6,9-triol 9-[apiosyl-(1->6)-glucoside] (3b,6a,7E,9x)-7,8-Dihydro-4,7-megastigmadiene-3,6,9-triol 9-O-[b-D-apiosyl-(1->6)-b-D-glucoside] 7,8-Dihydro-3b,6a-dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] C24H42O12 522.588 522.267626792 2-{[4-(1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-yl]oxy}-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol 2-{[4-(1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-yl]oxy}-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol 177261-73-3 CC(CCC1(O)C(C)=CC(O)CC1(C)C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O InChI=1S/C24H42O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h7,13-21,25-32H,5-6,8-11H2,1-4H3 JYBWSFINAXRKBZ-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 -1.10 ALOGPS logs -2.17 ALOGPS solubility 3.57e+00 g/l ALOGPS logp -2 ChemAxon pka_strongest_acidic 11.7 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 2-{[4-(1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-yl]oxy}-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol ChemAxon average_mass 522.588 ChemAxon mono_mass 522.267626792 ChemAxon smiles CC(CCC1(O)C(C)=CC(O)CC1(C)C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O ChemAxon formula C24H42O12 ChemAxon inchi InChI=1S/C24H42O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h7,13-21,25-32H,5-6,8-11H2,1-4H3 ChemAxon inchikey JYBWSFINAXRKBZ-UHFFFAOYSA-N ChemAxon polar_surface_area 198.76 ChemAxon refractivity 124.1 ChemAxon polarizability 54.27 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23945 Specdb::CMs 47390 Specdb::MsMs 319069 Specdb::MsMs 319070 Specdb::MsMs 319071 Specdb::MsMs 366052 Specdb::MsMs 366053 Specdb::MsMs 366054 Specdb::MsMs 2739214 Specdb::MsMs 2739215 Specdb::MsMs 2739216 Specdb::MsMs 2970096 Specdb::MsMs 2970097 Specdb::MsMs 2970098 Specdb::NmrOneD 47642 Specdb::NmrOneD 47643 Specdb::NmrOneD 47644 Specdb::NmrOneD 47645 Specdb::NmrOneD 47646 Specdb::NmrOneD 47647 Specdb::NmrOneD 47648 Specdb::NmrOneD 47649 Specdb::NmrOneD 47650 Specdb::NmrOneD 47651 Specdb::NmrOneD 47652 Specdb::NmrOneD 47653 Specdb::NmrOneD 47654 Specdb::NmrOneD 47655 Specdb::NmrOneD 47656 Specdb::NmrOneD 47657 Specdb::NmrOneD 47658 Specdb::NmrOneD 47659 Specdb::NmrOneD 47660 Specdb::NmrOneD 47661 HMDB41579 #<Reference:0x000055ce3274af30> Fruits Unknown generic