1.0 2010-04-08 22:15:24 UTC 2025-11-19 02:34:57 UTC FDB020997 Perilloside E Constituent of the leaves of Perilla frutescens (perilla) Perilloside E C17H22O9 370.3512 370.126382302 2-(hydroxymethyl)-6-{[5-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxol-4-yl]oxy}oxane-3,4,5-triol 2-(hydroxymethyl)-6-{[5-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxol-4-yl]oxy}oxane-3,4,5-triol 149380-62-1 COC1=C(OC2OC(CO)C(O)C(O)C2O)C2=C(OCO2)C=C1CC=C InChI=1S/C17H22O9/c1-3-4-8-5-9-15(24-7-23-9)16(14(8)22-2)26-17-13(21)12(20)11(19)10(6-18)25-17/h3,5,10-13,17-21H,1,4,6-7H2,2H3 TUDSCAUWKFENRC-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 heteropolycyclic compounds Acetals Alkyl aryl ethers Anisoles Benzodioxoles Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Ether Hydrocarbon derivative Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Secondary alcohol logp -0.11 ALOGPS logs -1.72 ALOGPS solubility 7.12e+00 g/l ALOGPS melting_point Mp 164-165° logp -0.034 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-{[5-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxol-4-yl]oxy}oxane-3,4,5-triol ChemAxon average_mass 370.3512 ChemAxon mono_mass 370.126382302 ChemAxon smiles COC1=C(OC2OC(CO)C(O)C(O)C2O)C2=C(OCO2)C=C1CC=C ChemAxon formula C17H22O9 ChemAxon inchi InChI=1S/C17H22O9/c1-3-4-8-5-9-15(24-7-23-9)16(14(8)22-2)26-17-13(21)12(20)11(19)10(6-18)25-17/h3,5,10-13,17-21H,1,4,6-7H2,2H3 ChemAxon inchikey TUDSCAUWKFENRC-UHFFFAOYSA-N ChemAxon polar_surface_area 127.07 ChemAxon refractivity 86.7 ChemAxon polarizability 36.1 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 9 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 314887 Specdb::MsMs 314888 Specdb::MsMs 314889 Specdb::MsMs 360730 Specdb::MsMs 360731 Specdb::MsMs 360732 Specdb::MsMs 2771408 Specdb::MsMs 2771409 Specdb::MsMs 2771410 Specdb::MsMs 2908008 Specdb::MsMs 2908009 Specdb::MsMs 2908010 Specdb::CMs 22021 Specdb::CMs 47127 Specdb::CMs 153160 Specdb::NmrOneD 44762 Specdb::NmrOneD 44763 Specdb::NmrOneD 44764 Specdb::NmrOneD 44765 Specdb::NmrOneD 44766 Specdb::NmrOneD 44767 Specdb::NmrOneD 44768 Specdb::NmrOneD 44769 Specdb::NmrOneD 44770 Specdb::NmrOneD 44771 Specdb::NmrOneD 44772 Specdb::NmrOneD 44773 Specdb::NmrOneD 44774 Specdb::NmrOneD 44775 Specdb::NmrOneD 44776 Specdb::NmrOneD 44777 Specdb::NmrOneD 44778 Specdb::NmrOneD 44779 Specdb::NmrOneD 44780 Specdb::NmrOneD 44781 HMDB41115 #<Reference:0x000055ce32f864b0>