1.0 2010-04-08 22:10:32 UTC 2025-11-18 23:41:34 UTC FDB013130 Torachrysone 8-(2-apiosylglucoside) Constituent of the seeds of Cassia tora (charota). Torachrysone 8-(2-apiosylglucoside) is found in coffee and coffee products, herbs and spices, and pulses. Torachrysone 8-(2-apiosylglucoside) C25H32O13 540.5138 540.18429111 1-{8-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-1-hydroxy-6-methoxy-3-methylnaphthalen-2-yl}ethan-1-one 1-{8-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-1-hydroxy-6-methoxy-3-methylnaphthalen-2-yl}ethanone 245724-11-2 COC1=CC(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)=C2C(O)=C(C(C)=O)C(C)=CC2=C1 InChI=1S/C25H32O13/c1-10-4-12-5-13(34-3)6-14(17(12)19(30)16(10)11(2)28)36-23-21(20(31)18(29)15(7-26)37-23)38-24-22(32)25(33,8-27)9-35-24/h4-6,15,18,20-24,26-27,29-33H,7-9H2,1-3H3 BABLZVVVBXCYEN-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 1-hydroxy-4-unsubstituted benzenoids Acetals Acetophenones Alkyl aryl ethers Anisoles Aryl alkyl ketones Disaccharides Hydrocarbon derivatives Naphthols and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Primary alcohols Secondary alcohols Tertiary alcohols Tetrahydrofurans Vinylogous acids 1-hydroxy-4-unsubstituted benzenoid 1-naphthol Acetal Acetophenone Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Disaccharide Ether Hydrocarbon derivative Ketone Naphthalene O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenolic glycoside Primary alcohol Secondary alcohol Tertiary alcohol Tetrahydrofuran Vinylogous acid logp -0.42 ALOGPS logs -2.45 ALOGPS solubility 1.94e+00 g/l ALOGPS logp -0.63 ChemAxon pka_strongest_acidic 9.6 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-{8-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-1-hydroxy-6-methoxy-3-methylnaphthalen-2-yl}ethan-1-one ChemAxon average_mass 540.5138 ChemAxon mono_mass 540.18429111 ChemAxon smiles COC1=CC(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)=C2C(O)=C(C(C)=O)C(C)=CC2=C1 ChemAxon formula C25H32O13 ChemAxon inchi InChI=1S/C25H32O13/c1-10-4-12-5-13(34-3)6-14(17(12)19(30)16(10)11(2)28)36-23-21(20(31)18(29)15(7-26)37-23)38-24-22(32)25(33,8-27)9-35-24/h4-6,15,18,20-24,26-27,29-33H,7-9H2,1-3H3 ChemAxon inchikey BABLZVVVBXCYEN-UHFFFAOYSA-N ChemAxon polar_surface_area 204.83 ChemAxon refractivity 127.19 ChemAxon polarizability 53.57 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 126858 Specdb::NmrOneD 126859 Specdb::NmrOneD 126860 Specdb::NmrOneD 126861 Specdb::NmrOneD 126862 Specdb::NmrOneD 126863 Specdb::NmrOneD 126864 Specdb::NmrOneD 126865 Specdb::NmrOneD 126866 Specdb::NmrOneD 126867 Specdb::NmrOneD 126868 Specdb::NmrOneD 126869 Specdb::NmrOneD 126870 Specdb::NmrOneD 126871 Specdb::NmrOneD 126872 Specdb::NmrOneD 126873 Specdb::NmrOneD 126874 Specdb::NmrOneD 126875 Specdb::NmrOneD 126876 Specdb::NmrOneD 126877 Specdb::MsMs 96123 Specdb::MsMs 96124 Specdb::MsMs 96125 Specdb::MsMs 160542 Specdb::MsMs 160543 Specdb::MsMs 160544 Specdb::MsMs 2370890 Specdb::MsMs 2370891 Specdb::MsMs 2370892 Specdb::MsMs 2568625 Specdb::MsMs 2568626 Specdb::MsMs 2568627 Specdb::CMs 25080 Specdb::CMs 43954 Specdb::CMs 264052 Specdb::CMs 264053 Specdb::CMs 264054 Specdb::CMs 264055 Specdb::CMs 264056 Specdb::CMs 264057 Specdb::CMs 264058 Specdb::CMs 264059 Specdb::CMs 264060 Specdb::CMs 264061 Specdb::CMs 264062 Specdb::CMs 264063 Specdb::CMs 264064 Specdb::CMs 264065 Specdb::CMs 264066 Specdb::CMs 264067 Specdb::CMs 264068 Specdb::CMs 264069 Specdb::CMs 264070 Specdb::CMs 264071 Specdb::CMs 264072 Specdb::CMs 264073 Specdb::CMs 264074 HMDB34612 #<Reference:0x000055ce3065aca8> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Herbs and Spices Unknown generic Pulses Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390