1.0 2010-04-08 22:15:10 UTC 2019-11-26 03:19:14 UTC FDB020642 Tryptophol [xylosyl-(1->6)-glucoside] Isolated from Lycium chinense (Chinese boxthom). Tryptophol [xylosyl-(1->6)-glucoside] is found in tea, coffee and coffee products, and herbs and spices. 3-(2-Hydroxyethyl)indole O-[b-D-xylopyranosyl-(1->6)-b-D-glucopyranoside] 5-(3'-Benzloxy-4-methoxy)benzylbarbituric acid Tryptophol [xylosyl-(1->6)-glucoside] Tryptophol O-[b-D-xylopyranosyl-(1->6)-b-D-glucopyranoside] C21H29NO10 455.4557 455.179146153 2-[2-(1H-indol-3-yl)ethoxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol 2-[2-(1H-indol-3-yl)ethoxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol 149817-65-2 OC1COC(OCC2OC(OCCC3=CNC4=CC=CC=C34)C(O)C(O)C2O)C(O)C1O InChI=1S/C21H29NO10/c23-13-8-30-20(18(27)15(13)24)31-9-14-16(25)17(26)19(28)21(32-14)29-6-5-10-7-22-12-4-2-1-3-11(10)12/h1-4,7,13-28H,5-6,8-9H2 ONVGARFWQRCLML-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 Aromatic heteropolycyclic compounds 3-alkylindoles Acetals Azacyclic compounds Benzenoids Disaccharides Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Secondary alcohols Substituted pyrroles 3-alkylindole Acetal Alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Disaccharide Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives O-glycosyl compound Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Pyrrole Secondary alcohol Substituted pyrrole logp -0.79 ALOGPS logs -1.95 ALOGPS solubility 5.09e+00 g/l ALOGPS logp -1.3 ChemAxon pka_strongest_acidic 11.93 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2-[2-(1H-indol-3-yl)ethoxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol ChemAxon average_mass 455.4557 ChemAxon mono_mass 455.179146153 ChemAxon smiles OC1COC(OCC2OC(OCCC3=CNC4=CC=CC=C34)C(O)C(O)C2O)C(O)C1O ChemAxon formula C21H29NO10 ChemAxon inchi InChI=1S/C21H29NO10/c23-13-8-30-20(18(27)15(13)24)31-9-14-16(25)17(26)19(28)21(32-14)29-6-5-10-7-22-12-4-2-1-3-11(10)12/h1-4,7,13-28H,5-6,8-9H2 ChemAxon inchikey ONVGARFWQRCLML-UHFFFAOYSA-N ChemAxon polar_surface_area 174.09 ChemAxon refractivity 107.58 ChemAxon polarizability 46 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12843 Specdb::CMs 46985 Specdb::CMs 167473 Specdb::MsMs 294196 Specdb::MsMs 294197 Specdb::MsMs 294198 Specdb::MsMs 334855 Specdb::MsMs 334856 Specdb::MsMs 334857 Specdb::MsMs 2678719 Specdb::MsMs 2678720 Specdb::MsMs 2678721 Specdb::MsMs 3030347 Specdb::MsMs 3030348 Specdb::MsMs 3030349 Specdb::NmrOneD 43542 Specdb::NmrOneD 43543 Specdb::NmrOneD 43544 Specdb::NmrOneD 43545 Specdb::NmrOneD 43546 Specdb::NmrOneD 43547 Specdb::NmrOneD 43548 Specdb::NmrOneD 43549 Specdb::NmrOneD 43550 Specdb::NmrOneD 43551 Specdb::NmrOneD 43552 Specdb::NmrOneD 43553 Specdb::NmrOneD 43554 Specdb::NmrOneD 43555 Specdb::NmrOneD 43556 Specdb::NmrOneD 43557 Specdb::NmrOneD 43558 Specdb::NmrOneD 43559 Specdb::NmrOneD 43560 Specdb::NmrOneD 43561 HMDB40825 #<Reference:0x000055ce30740938> Arabica coffee Type 1 specific Coffea arabica 13443 Black tea Type 1 Coffee and coffee products Unknown generic Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Tea Type 1 specific Camellia sinensis 4442