1.0 2010-04-08 22:13:55 UTC 2019-11-26 03:16:39 UTC FDB018768 Citrusin F Isolated from lemon peel oil (Citrus limon). Citrusin F is found in lemon and citrus. Citrusin F C22H32O14 520.4811 520.179205732 methyl 3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)propanoate methyl 3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)propanoate 134860-04-1 COC(=O)CCC1=CC(O)=C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C=C1 InChI=1S/C22H32O14/c1-32-14(25)5-3-9-2-4-11(10(24)6-9)34-22-20(31)18(29)16(27)13(36-22)8-33-21-19(30)17(28)15(26)12(7-23)35-21/h2,4,6,12-13,15-24,26-31H,3,5,7-8H2,1H3 YLQXQJFWCRRNGA-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 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Carbonyl compounds Disaccharides Fatty acid esters Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Primary alcohols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Disaccharide Fatty acid ester Fatty acyl Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Monocyclic benzene moiety O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol logp -1.34 ALOGPS logs -1.70 ALOGPS solubility 1.05e+01 g/l ALOGPS logp -2.4 ChemAxon pka_strongest_acidic 9.74 ChemAxon pka_strongest_basic -3 ChemAxon iupac methyl 3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)propanoate ChemAxon average_mass 520.4811 ChemAxon mono_mass 520.179205732 ChemAxon smiles COC(=O)CCC1=CC(O)=C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C=C1 ChemAxon formula C22H32O14 ChemAxon inchi InChI=1S/C22H32O14/c1-32-14(25)5-3-9-2-4-11(10(24)6-9)34-22-20(31)18(29)16(27)13(36-22)8-33-21-19(30)17(28)15(26)12(7-23)35-21/h2,4,6,12-13,15-24,26-31H,3,5,7-8H2,1H3 ChemAxon inchikey YLQXQJFWCRRNGA-UHFFFAOYSA-N ChemAxon polar_surface_area 225.06 ChemAxon refractivity 115.26 ChemAxon polarizability 50.66 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17779 Specdb::CMs 46327 Specdb::MsMs 13160 Specdb::MsMs 13161 Specdb::MsMs 13162 Specdb::MsMs 19832 Specdb::MsMs 19833 Specdb::MsMs 19834 Specdb::MsMs 2335117 Specdb::MsMs 2335118 Specdb::MsMs 2335119 Specdb::MsMs 2626721 Specdb::MsMs 2626722 Specdb::MsMs 2626723 Specdb::NmrOneD 31782 Specdb::NmrOneD 31783 Specdb::NmrOneD 31784 Specdb::NmrOneD 31785 Specdb::NmrOneD 31786 Specdb::NmrOneD 31787 Specdb::NmrOneD 31788 Specdb::NmrOneD 31789 Specdb::NmrOneD 31790 Specdb::NmrOneD 31791 Specdb::NmrOneD 31792 Specdb::NmrOneD 31793 Specdb::NmrOneD 31794 Specdb::NmrOneD 31795 Specdb::NmrOneD 31796 Specdb::NmrOneD 31797 Specdb::NmrOneD 31798 Specdb::NmrOneD 31799 Specdb::NmrOneD 31800 Specdb::NmrOneD 31801 HMDB39235 #<Reference:0x000055ce31e3ed38> Citrus Unknown generic Lemon Type 1 specific Citrus limon 2708