1.0 2010-04-08 22:13:31 UTC 2019-11-26 03:15:44 UTC FDB018122 Kelampayoside A Isolated from Cinnamomum cassia (Chinese cinnamon). Kelampayoside A is found in chinese cinnamon and herbs and spices. Kelampayoside A C20H30O13 478.4444 478.168641046 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol 87562-76-3 COC1=CC(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)=CC(OC)=C1OC InChI=1S/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3 CKGKQISENBKOCA-UHFFFAOYSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Alkyl aryl ethers Anisoles Disaccharides Hydrocarbon derivatives Methoxybenzenes O-glycosyl compounds Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols Tertiary alcohols Tetrahydrofurans Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Benzenoid Disaccharide Ether Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Tertiary alcohol Tetrahydrofuran logp -0.99 ALOGPS logs -1.64 ALOGPS solubility 1.09e+01 g/l ALOGPS melting_point Mp 132-134° (hexa-Ac) logp -2.3 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-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol ChemAxon average_mass 478.4444 ChemAxon mono_mass 478.168641046 ChemAxon smiles COC1=CC(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)=CC(OC)=C1OC ChemAxon formula C20H30O13 ChemAxon inchi InChI=1S/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3 ChemAxon inchikey CKGKQISENBKOCA-UHFFFAOYSA-N ChemAxon polar_surface_area 185.99 ChemAxon refractivity 106.24 ChemAxon polarizability 46.51 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 13 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14064 Specdb::CMs 46003 Specdb::MsMs 86565 Specdb::MsMs 86566 Specdb::MsMs 86567 Specdb::MsMs 148884 Specdb::MsMs 148885 Specdb::MsMs 148886 HMDB38714 #<Reference:0x000055ce316718a8> Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Herbs and Spices Unknown generic