1.0 2010-04-08 22:09:15 UTC 2019-11-26 03:04:00 UTC FDB010705 Phloroacetophenone 6'-[xylosyl-(1->6)-glucoside] Constituent of Sapium sebiferum (Chinese tallowtree). Phloroacetophenone 6'-[xylosyl-(1->6)-glucoside] is found in fats and oils. 6'-Hydroxy-2',4'-dimethoxyacetophenone 6'-O-[b-D-xylopyranosyl-(1->6)-b-D-glucopyranoside] Phloroacetophenone 6'-[xylosyl-(1->6)-glucoside] Phloroacetophenone 6'-O-[b-D-xylopyranosyl-(1->6)-b-D-glucopyranoside] Phloroacetophenone 6'-O-[b-D-xylosyl-(1->6)-b-D-glucoside] C21H30O13 490.4551 490.168641046 1-{2,4-dimethoxy-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}ethan-1-one 1-{2,4-dimethoxy-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}ethanone 87432-28-8 COC1=CC(OC)=C(C(C)=O)C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=C1 InChI=1S/C21H30O13/c1-8(22)14-11(30-3)4-9(29-2)5-12(14)33-21-19(28)17(26)16(25)13(34-21)7-32-20-18(27)15(24)10(23)6-31-20/h4-5,10,13,15-21,23-28H,6-7H2,1-3H3 BAYBVSSLAYYEKP-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 Acetophenones Alkyl aryl ethers Alkyl-phenylketones Anisoles Aryl alkyl ketones Benzoyl derivatives Dimethoxybenzenes Disaccharides Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenoxy compounds Polyols Secondary alcohols Acetal Acetophenone Alcohol Alkyl aryl ether Alkyl-phenylketone Anisole Aromatic heteromonocyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzoyl Dimethoxybenzene Disaccharide Ether Hydrocarbon derivative Ketone M-dimethoxybenzene Methoxybenzene Monocyclic benzene moiety O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Phenylketone Polyol Secondary alcohol logp -1.32 ALOGPS logs -1.76 ALOGPS solubility 8.54e+00 g/l ALOGPS melting_point Mp 188-190° logp -2.5 ChemAxon pka_strongest_acidic 11.92 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 1-{2,4-dimethoxy-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}ethan-1-one ChemAxon average_mass 490.4551 ChemAxon mono_mass 490.168641046 ChemAxon smiles COC1=CC(OC)=C(C(C)=O)C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=C1 ChemAxon formula C21H30O13 ChemAxon inchi InChI=1S/C21H30O13/c1-8(22)14-11(30-3)4-9(29-2)5-12(14)33-21-19(28)17(26)16(25)13(34-21)7-32-20-18(27)15(24)10(23)6-31-20/h4-5,10,13,15-21,23-28H,6-7H2,1-3H3 ChemAxon inchikey BAYBVSSLAYYEKP-UHFFFAOYSA-N ChemAxon polar_surface_area 193.83 ChemAxon refractivity 109.96 ChemAxon polarizability 47.81 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 13 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26370 Specdb::CMs 42944 Specdb::CMs 146791 Specdb::MsMs 73827 Specdb::MsMs 73828 Specdb::MsMs 73829 Specdb::MsMs 133071 Specdb::MsMs 133072 Specdb::MsMs 133073 Specdb::MsMs 2438782 Specdb::MsMs 2438783 Specdb::MsMs 2438784 Specdb::MsMs 2523879 Specdb::MsMs 2523880 Specdb::MsMs 2523881 Specdb::NmrOneD 114778 Specdb::NmrOneD 114779 Specdb::NmrOneD 114780 Specdb::NmrOneD 114781 Specdb::NmrOneD 114782 Specdb::NmrOneD 114783 Specdb::NmrOneD 114784 Specdb::NmrOneD 114785 Specdb::NmrOneD 114786 Specdb::NmrOneD 114787 Specdb::NmrOneD 114788 Specdb::NmrOneD 114789 Specdb::NmrOneD 114790 Specdb::NmrOneD 114791 Specdb::NmrOneD 114792 Specdb::NmrOneD 114793 Specdb::NmrOneD 114794 Specdb::NmrOneD 114795 Specdb::NmrOneD 114796 Specdb::NmrOneD 114797 HMDB32743 #<Reference:0x000055ce32726748> Fats and oils Unknown generic