1.0 2010-04-08 22:05:17 UTC 2025-11-18 22:35:43 UTC FDB002216 Citroside A Constituent of Citrus unshiu (satsuma mandarin). Citroside A is found in loquat and citrus. Citroside A C19H30O8 386.4367 386.194067936 4-(4-hydroxy-2,2,6-trimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene)but-3-en-2-one 4-(4-hydroxy-2,2,6-trimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene)but-3-en-2-one 120330-44-1 CC(=O)C=C=C1C(C)(C)CC(O)CC1(C)OC1OC(CO)C(O)C(O)C1O InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3 XTODSGVDHGMKSN-UHFFFAOYSA-N belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Terpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteromonocyclic compounds Acetals Acryloyl compounds Cyclic alcohols and derivatives Enones Hexoses Hydrocarbon derivatives Ketones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sesquiterpenoids Acetal Acryloyl-group Alcohol Aliphatic heteromonocyclic compound Carbonyl group Cyclic alcohol Enone Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Ketone Megastigmane sesquiterpenoid Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sesquiterpenoid Terpene glycoside logp -0.16 ALOGPS logs -2.04 ALOGPS solubility 3.53e+00 g/l ALOGPS logp -0.99 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 4-(4-hydroxy-2,2,6-trimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene)but-3-en-2-one ChemAxon average_mass 386.4367 ChemAxon mono_mass 386.194067936 ChemAxon smiles CC(=O)C=C=C1C(C)(C)CC(O)CC1(C)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C19H30O8 ChemAxon inchi InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3 ChemAxon inchikey XTODSGVDHGMKSN-UHFFFAOYSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 96.3 ChemAxon polarizability 39.84 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11490 Specdb::CMs 41887 Specdb::CMs 159392 Specdb::MsMs 71406 Specdb::MsMs 71407 Specdb::MsMs 71408 Specdb::MsMs 130059 Specdb::MsMs 130060 Specdb::MsMs 130061 Specdb::MsMs 2817984 Specdb::MsMs 2817985 Specdb::MsMs 2817986 Specdb::MsMs 2887460 Specdb::MsMs 2887461 Specdb::MsMs 2887462 HMDB0030370 Citrus Unknown generic Loquat Type 1 specific Eriobotrya japonica 32224