1.0 2010-04-08 22:13:12 UTC 2025-11-19 01:55:48 UTC FDB017633 3-(3,4-Dihydroxyphenyl)-1-propanol 3'-glucoside Constituent of the fruit of Carum ajowan (ajowan) 3-(3,4-Dihydroxyphenyl)-1-propanol 3'-glucoside 3-(3,4-Dihydroxyphenyl)-1-propanol 3'-O-b-D-glucopyranoside C15H22O8 330.3304 330.13146768 2-[2-hydroxy-5-(3-hydroxypropyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[2-hydroxy-5-(3-hydroxypropyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 71-23-8 OCCCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C1 InChI=1S/C15H22O8/c16-5-1-2-8-3-4-9(18)10(6-8)22-15-14(21)13(20)12(19)11(7-17)23-15/h3-4,6,11-21H,1-2,5,7H2 HGKIWLYFVQJOOO-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 heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Primary alcohols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Hexose monosaccharide Hydrocarbon derivative Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol logp -1.13 ALOGPS logs -1.58 ALOGPS solubility 8.75e+00 g/l ALOGPS logp -0.94 ChemAxon pka_strongest_acidic 10.12 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 2-[2-hydroxy-5-(3-hydroxypropyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 330.3304 ChemAxon mono_mass 330.13146768 ChemAxon smiles OCCCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C1 ChemAxon formula C15H22O8 ChemAxon inchi InChI=1S/C15H22O8/c16-5-1-2-8-3-4-9(18)10(6-8)22-15-14(21)13(20)12(19)11(7-17)23-15/h3-4,6,11-21H,1-2,5,7H2 ChemAxon inchikey HGKIWLYFVQJOOO-UHFFFAOYSA-N ChemAxon polar_surface_area 139.84 ChemAxon refractivity 78.34 ChemAxon polarizability 32.91 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 25562 Specdb::NmrOneD 25563 Specdb::NmrOneD 25564 Specdb::NmrOneD 25565 Specdb::NmrOneD 25566 Specdb::NmrOneD 25567 Specdb::NmrOneD 25568 Specdb::NmrOneD 25569 Specdb::NmrOneD 25570 Specdb::NmrOneD 25571 Specdb::NmrOneD 25572 Specdb::NmrOneD 25573 Specdb::NmrOneD 25574 Specdb::NmrOneD 25575 Specdb::NmrOneD 25576 Specdb::NmrOneD 25577 Specdb::NmrOneD 25578 Specdb::NmrOneD 25579 Specdb::NmrOneD 25580 Specdb::NmrOneD 25581 Specdb::MsMs 70704 Specdb::MsMs 70705 Specdb::MsMs 70706 Specdb::MsMs 129249 Specdb::MsMs 129250 Specdb::MsMs 129251 Specdb::MsMs 2295360 Specdb::MsMs 2295361 Specdb::MsMs 2295362 Specdb::MsMs 2640736 Specdb::MsMs 2640737 Specdb::MsMs 2640738 Specdb::CMs 24404 Specdb::CMs 45752 Specdb::CMs 132872 Specdb::CMs 140606 Specdb::CMs 147733 Specdb::CMs 147735 Specdb::CMs 147737 Specdb::CMs 279637 HMDB38304 #<Reference:0x000055ce32f7b740>