1.0 2010-04-08 22:10:33 UTC 2025-11-18 23:41:34 UTC FDB013131 Torachrysone 8-beta-gentiobioside Constituent of the seeds of Cassia tora (charota). Torachrysone 8-beta-gentiobioside is found in coffee and coffee products, herbs and spices, and pulses. Torachrysone 8-b-gentiobioside C26H34O14 570.5398 570.194855796 1-(1-hydroxy-6-methoxy-3-methyl-8-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}naphthalen-2-yl)ethan-1-one 1-(1-hydroxy-6-methoxy-3-methyl-8-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}naphthalen-2-yl)ethanone 245724-09-8 COC1=CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=C2C(O)=C(C(C)=O)C(C)=CC2=C1 InChI=1S/C26H34O14/c1-9-4-11-5-12(36-3)6-13(17(11)20(31)16(9)10(2)28)38-26-24(35)22(33)19(30)15(40-26)8-37-25-23(34)21(32)18(29)14(7-27)39-25/h4-6,14-15,18-19,21-27,29-35H,7-8H2,1-3H3 XCIHPNCERQKEMU-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 Polyols Primary alcohols Secondary alcohols 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 Polyol Primary alcohol Secondary alcohol Vinylogous acid logp -0.83 ALOGPS logs -2.15 ALOGPS solubility 4.03e+00 g/l ALOGPS melting_point Mp 221° logp -1.1 ChemAxon pka_strongest_acidic 9.6 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-(1-hydroxy-6-methoxy-3-methyl-8-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}naphthalen-2-yl)ethan-1-one ChemAxon average_mass 570.5398 ChemAxon mono_mass 570.194855796 ChemAxon smiles COC1=CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=C2C(O)=C(C(C)=O)C(C)=CC2=C1 ChemAxon formula C26H34O14 ChemAxon inchi InChI=1S/C26H34O14/c1-9-4-11-5-12(36-3)6-13(17(11)20(31)16(9)10(2)28)38-26-24(35)22(33)19(30)15(40-26)8-37-25-23(34)21(32)18(29)14(7-27)39-25/h4-6,14-15,18-19,21-27,29-35H,7-8H2,1-3H3 ChemAxon inchikey XCIHPNCERQKEMU-UHFFFAOYSA-N ChemAxon polar_surface_area 225.06 ChemAxon refractivity 132.93 ChemAxon polarizability 56.56 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 14 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 9773 Specdb::MsMs 9774 Specdb::MsMs 9775 Specdb::MsMs 16445 Specdb::MsMs 16446 Specdb::MsMs 16447 Specdb::MsMs 3060831 Specdb::MsMs 3060832 Specdb::MsMs 3060833 Specdb::MsMs 3108858 Specdb::MsMs 3108859 Specdb::MsMs 3108860 Specdb::NmrOneD 126878 Specdb::NmrOneD 126879 Specdb::NmrOneD 126880 Specdb::NmrOneD 126881 Specdb::NmrOneD 126882 Specdb::NmrOneD 126883 Specdb::NmrOneD 126884 Specdb::NmrOneD 126885 Specdb::NmrOneD 126886 Specdb::NmrOneD 126887 Specdb::NmrOneD 126888 Specdb::NmrOneD 126889 Specdb::NmrOneD 126890 Specdb::NmrOneD 126891 Specdb::NmrOneD 126892 Specdb::NmrOneD 126893 Specdb::NmrOneD 126894 Specdb::NmrOneD 126895 Specdb::NmrOneD 126896 Specdb::NmrOneD 126897 Specdb::CMs 20158 Specdb::CMs 43955 Specdb::CMs 282346 Specdb::CMs 368728 Specdb::CMs 368729 Specdb::CMs 368730 Specdb::CMs 368731 Specdb::CMs 368732 Specdb::CMs 368733 Specdb::CMs 368734 Specdb::CMs 368735 Specdb::CMs 368736 Specdb::CMs 368737 Specdb::CMs 368738 Specdb::CMs 368739 Specdb::CMs 368740 Specdb::CMs 368741 Specdb::CMs 368742 Specdb::CMs 368743 Specdb::CMs 368744 Specdb::CMs 368745 Specdb::CMs 368746 Specdb::CMs 368747 Specdb::CMs 368748 Specdb::CMs 368749 HMDB34613 #<Reference:0x000055ce315cfcd8> 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