1.0 2010-04-08 22:11:00 UTC 2025-11-19 00:40:32 UTC FDB013973 Kanokoside C From Valeriana officinalis (valerian) root. Kanokoside C is found in tea, fats and oils, and herbs and spices. Kanokoside C C27H42O17 638.6122 638.242199918 5-hydroxy-5-(hydroxymethyl)-10-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-en-7-yl 3-methylbutanoate 5-hydroxy-5-(hydroxymethyl)-10-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-en-7-yl 3-methylbutanoate 64703-87-3 CC(C)CC(=O)OC1OC=C(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2C3OC3C(O)(CO)C12 InChI=1S/C27H42O17/c1-9(2)3-13(30)43-24-15-14(22-23(44-22)27(15,37)8-29)10(5-38-24)6-39-25-21(36)19(34)17(32)12(42-25)7-40-26-20(35)18(33)16(31)11(4-28)41-26/h5,9,11-12,14-26,28-29,31-37H,3-4,6-8H2,1-2H3 ZTHFWSGQXKJHJD-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteropolycyclic compounds Acetals Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Dialkyl ethers Disaccharides Epoxides Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dialkyl ether Disaccharide Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Oxirane Polyol Primary alcohol Secondary alcohol Tertiary alcohol logp -1.81 ALOGPS logs -1.35 ALOGPS solubility 2.88e+01 g/l ALOGPS melting_point Mp 102-105° (as penta-Ac) logp -4.4 ChemAxon pka_strongest_acidic 11.83 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 5-hydroxy-5-(hydroxymethyl)-10-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-en-7-yl 3-methylbutanoate ChemAxon average_mass 638.6122 ChemAxon mono_mass 638.242199918 ChemAxon smiles CC(C)CC(=O)OC1OC=C(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2C3OC3C(O)(CO)C12 ChemAxon formula C27H42O17 ChemAxon inchi InChI=1S/C27H42O17/c1-9(2)3-13(30)43-24-15-14(22-23(44-22)27(15,37)8-29)10(5-38-24)6-39-25-21(36)19(34)17(32)12(42-25)7-40-26-20(35)18(33)16(31)11(4-28)41-26/h5,9,11-12,14-26,28-29,31-37H,3-4,6-8H2,1-2H3 ChemAxon inchikey ZTHFWSGQXKJHJD-UHFFFAOYSA-N ChemAxon polar_surface_area 267.05 ChemAxon refractivity 138.59 ChemAxon polarizability 62.46 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 16 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19021 Specdb::CMs 600684 Specdb::CMs 600685 Specdb::CMs 600686 Specdb::CMs 600687 Specdb::CMs 600688 Specdb::CMs 600689 Specdb::CMs 600690 Specdb::CMs 600691 Specdb::CMs 600692 Specdb::CMs 600693 Specdb::CMs 600694 Specdb::CMs 600695 Specdb::CMs 600696 Specdb::CMs 600697 Specdb::CMs 600698 Specdb::CMs 600699 Specdb::CMs 600700 Specdb::CMs 600701 Specdb::CMs 600702 Specdb::CMs 600703 Specdb::CMs 600704 Specdb::CMs 600705 Specdb::CMs 600706 Specdb::CMs 600707 Specdb::NmrOneD 130878 Specdb::NmrOneD 130879 Specdb::NmrOneD 130880 Specdb::NmrOneD 130881 Specdb::NmrOneD 130882 Specdb::NmrOneD 130883 Specdb::NmrOneD 130884 Specdb::NmrOneD 130885 Specdb::NmrOneD 130886 Specdb::NmrOneD 130887 Specdb::NmrOneD 130888 Specdb::NmrOneD 130889 Specdb::NmrOneD 130890 Specdb::NmrOneD 130891 Specdb::NmrOneD 130892 Specdb::NmrOneD 130893 Specdb::NmrOneD 130894 Specdb::NmrOneD 130895 Specdb::NmrOneD 130896 Specdb::NmrOneD 130897 Specdb::MsMs 74058 Specdb::MsMs 74059 Specdb::MsMs 74060 Specdb::MsMs 133350 Specdb::MsMs 133351 Specdb::MsMs 133352 Specdb::MsMs 2708114 Specdb::MsMs 2708115 Specdb::MsMs 2708116 Specdb::MsMs 3001054 Specdb::MsMs 3001055 Specdb::MsMs 3001056 HMDB35305 #<Reference:0x000055ce319799d8> Black tea Type 1 Fats and oils Unknown generic Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442