1.0 2010-04-08 22:09:11 UTC 2020-02-24 19:11:00 UTC FDB010565 Phenethyl rutinoside Isolated from Citrus unshiu (Satsuma mandarin). Phenethyl rutinoside is found in citrus and pomegranate. 1,2-Hexadecanediol 1,2-Hexadecanediol (8CI)(9CI) Cetyl glycol Phenethyl rutinoside C20H30O10 430.4462 430.18389718 2-methyl-6-{[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy}oxane-3,4,5-triol 2-methyl-6-{[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy}oxane-3,4,5-triol 88510-08-1 CC1OC(OCC2OC(OCCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C20H30O10/c1-10-13(21)15(23)17(25)20(29-10)28-9-12-14(22)16(24)18(26)19(30-12)27-8-7-11-5-3-2-4-6-11/h2-6,10,12-26H,7-9H2,1H3 OKUGUNDXBGUFPA-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 -0.73 ALOGPS logs -1.52 ALOGPS solubility 1.30e+01 g/l ALOGPS logp -1 ChemAxon pka_strongest_acidic 11.92 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-methyl-6-{[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy}oxane-3,4,5-triol ChemAxon average_mass 430.4462 ChemAxon mono_mass 430.18389718 ChemAxon smiles CC1OC(OCC2OC(OCCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C20H30O10 ChemAxon inchi InChI=1S/C20H30O10/c1-10-13(21)15(23)17(25)20(29-10)28-9-12-14(22)16(24)18(26)19(30-12)27-8-7-11-5-3-2-4-6-11/h2-6,10,12-26H,7-9H2,1H3 ChemAxon inchikey OKUGUNDXBGUFPA-UHFFFAOYSA-N ChemAxon polar_surface_area 158.3 ChemAxon refractivity 100.91 ChemAxon polarizability 43.75 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20789 Specdb::CMs 42885 Specdb::CMs 135288 Specdb::CMs 143022 Specdb::MsMs 73893 Specdb::MsMs 73894 Specdb::MsMs 73895 Specdb::MsMs 133149 Specdb::MsMs 133150 Specdb::MsMs 133151 Specdb::MsMs 2672100 Specdb::MsMs 2672101 Specdb::MsMs 2672102 Specdb::MsMs 3010140 Specdb::MsMs 3010141 Specdb::MsMs 3010142 Specdb::NmrOneD 114318 Specdb::NmrOneD 114319 Specdb::NmrOneD 114320 Specdb::NmrOneD 114321 Specdb::NmrOneD 114322 Specdb::NmrOneD 114323 Specdb::NmrOneD 114324 Specdb::NmrOneD 114325 Specdb::NmrOneD 114326 Specdb::NmrOneD 114327 Specdb::NmrOneD 114328 Specdb::NmrOneD 114329 Specdb::NmrOneD 114330 Specdb::NmrOneD 114331 Specdb::NmrOneD 114332 Specdb::NmrOneD 114333 Specdb::NmrOneD 114334 Specdb::NmrOneD 114335 Specdb::NmrOneD 114336 Specdb::NmrOneD 114337 HMDB32622 #<Reference:0x000055ce31d26770> Citrus Unknown generic Pomegranate Type 1 specific Punica granatum 22663