1.0 2010-04-08 22:15:46 UTC 2018-05-29 01:51:45 UTC FDB021535 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside Constituent of Scotch pine (Pinus sylvestris) bark. Famine food 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-O-b-D-xylopyranoside 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-O-b-D-xyloside 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside C18H28O9 388.4095 388.173332494 2-{3-hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy}oxane-3,4,5-triol 2-{3-hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy}oxane-3,4,5-triol 95-01-2 COC1=C(OC(CO)COC2OCC(O)C(O)C2O)C=CC(CCCO)=C1 InChI=1S/C18H28O9/c1-24-15-7-11(3-2-6-19)4-5-14(15)27-12(8-20)9-25-18-17(23)16(22)13(21)10-26-18/h4-5,7,12-13,16-23H,2-3,6,8-10H2,1H3 OWQQMQRFNZHYAU-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 Alkyl aryl ethers Anisoles Hydrocarbon derivatives Methoxybenzenes Oxacyclic compounds Oxanes Pentoses Phenoxy compounds Polyols Primary alcohols Secondary alcohols Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Benzenoid Ether Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Pentose monosaccharide Phenol ether Phenoxy compound Polyol Primary alcohol Secondary alcohol logp -0.67 ALOGPS logs -2.35 ALOGPS solubility 1.75e+00 g/l ALOGPS logp -0.84 ChemAxon pka_strongest_acidic 12.24 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 2-{3-hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy}oxane-3,4,5-triol ChemAxon average_mass 388.4095 ChemAxon mono_mass 388.173332494 ChemAxon smiles COC1=C(OC(CO)COC2OCC(O)C(O)C2O)C=CC(CCCO)=C1 ChemAxon formula C18H28O9 ChemAxon inchi InChI=1S/C18H28O9/c1-24-15-7-11(3-2-6-19)4-5-14(15)27-12(8-20)9-25-18-17(23)16(22)13(21)10-26-18/h4-5,7,12-13,16-23H,2-3,6,8-10H2,1H3 ChemAxon inchikey OWQQMQRFNZHYAU-UHFFFAOYSA-N ChemAxon polar_surface_area 138.07 ChemAxon refractivity 93.86 ChemAxon polarizability 40.11 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9322 Specdb::CMs 47383 Specdb::CMs 172808 Specdb::MsMs 286582 Specdb::MsMs 286583 Specdb::MsMs 286584 Specdb::MsMs 325198 Specdb::MsMs 325199 Specdb::MsMs 325200 Specdb::MsMs 2708135 Specdb::MsMs 2708136 Specdb::MsMs 2708137 Specdb::MsMs 3001063 Specdb::MsMs 3001064 Specdb::MsMs 3001065 Specdb::NmrOneD 47422 Specdb::NmrOneD 47423 Specdb::NmrOneD 47424 Specdb::NmrOneD 47425 Specdb::NmrOneD 47426 Specdb::NmrOneD 47427 Specdb::NmrOneD 47428 Specdb::NmrOneD 47429 Specdb::NmrOneD 47430 Specdb::NmrOneD 47431 Specdb::NmrOneD 47432 Specdb::NmrOneD 47433 Specdb::NmrOneD 47434 Specdb::NmrOneD 47435 Specdb::NmrOneD 47436 Specdb::NmrOneD 47437 Specdb::NmrOneD 47438 Specdb::NmrOneD 47439 Specdb::NmrOneD 47440 Specdb::NmrOneD 47441 HMDB41552 #<Reference:0x000055ce31a3dd10>