1.0 2010-04-08 22:15:31 UTC 2019-11-26 03:20:01 UTC FDB021186 Phenylethyl primeveroside Constituent of Camellia sinensis (oolong tea), Jasminum sambac (Arabian Jasmine). Phenylethyl primeveroside is found in tea and herbs and spices. 2-Phenylethyl beta-primeveroside Paxgp Phenethyl alcohol xylopyranosyl-(1-6)-glucopyranoside Phenylethyl primeveroside C19H28O10 416.4196 416.168247116 2-(2-phenylethoxy)-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol 2-(2-phenylethoxy)-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol 129932-48-5 OC1COC(OCC2OC(OCCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O InChI=1S/C19H28O10/c20-11-8-27-18(16(24)13(11)21)28-9-12-14(22)15(23)17(25)19(29-12)26-7-6-10-4-2-1-3-5-10/h1-5,11-25H,6-9H2 ZRGXCWYRIBRSQA-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 heteromonocyclic compounds Acetals Benzene and substituted derivatives Disaccharides Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Secondary alcohols Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Disaccharide Hydrocarbon derivative Monocyclic benzene moiety O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Secondary alcohol logp -1.08 ALOGPS logs -1.49 ALOGPS solubility 1.35e+01 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 11.93 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2-(2-phenylethoxy)-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol ChemAxon average_mass 416.4196 ChemAxon mono_mass 416.168247116 ChemAxon smiles OC1COC(OCC2OC(OCCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O ChemAxon formula C19H28O10 ChemAxon inchi InChI=1S/C19H28O10/c20-11-8-27-18(16(24)13(11)21)28-9-12-14(22)15(23)17(25)19(29-12)26-7-6-10-4-2-1-3-5-10/h1-5,11-25H,6-9H2 ChemAxon inchikey ZRGXCWYRIBRSQA-UHFFFAOYSA-N ChemAxon polar_surface_area 158.3 ChemAxon refractivity 96.49 ChemAxon polarizability 42.15 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13218 Specdb::CMs 47219 Specdb::CMs 174982 Specdb::NmrOneD 45942 Specdb::NmrOneD 45943 Specdb::NmrOneD 45944 Specdb::NmrOneD 45945 Specdb::NmrOneD 45946 Specdb::NmrOneD 45947 Specdb::NmrOneD 45948 Specdb::NmrOneD 45949 Specdb::NmrOneD 45950 Specdb::NmrOneD 45951 Specdb::NmrOneD 45952 Specdb::NmrOneD 45953 Specdb::NmrOneD 45954 Specdb::NmrOneD 45955 Specdb::NmrOneD 45956 Specdb::NmrOneD 45957 Specdb::NmrOneD 45958 Specdb::NmrOneD 45959 Specdb::NmrOneD 45960 Specdb::NmrOneD 45961 Specdb::MsMs 8720 Specdb::MsMs 8721 Specdb::MsMs 8722 Specdb::MsMs 11393 Specdb::MsMs 11394 Specdb::MsMs 11395 Specdb::MsMs 15392 Specdb::MsMs 15393 Specdb::MsMs 15394 Specdb::MsMs 18065 Specdb::MsMs 18066 Specdb::MsMs 18067 Specdb::MsMs 2671704 Specdb::MsMs 2671705 Specdb::MsMs 2671706 Specdb::MsMs 3009693 Specdb::MsMs 3009694 Specdb::MsMs 3009695 HMDB41274 #<Reference:0x000055ce316cc820> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442