1.0 2010-04-08 22:04:47 UTC 2018-05-28 22:08:47 UTC FDB000984 Cymorcin monoglucoside Constituent of the seeds of Carum copticum (ajowan). 5-Isopropyl-2-methyl-1,3-benzenediol mono-O-b-D-glucopyranoside Cymorcin mono-O-b-D-glucopyranoside Cymorcin monoglucoside C16H24O7 328.3576 328.152203122 2-[3-hydroxy-2-methyl-5-(propan-2-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-(3-hydroxy-5-isopropyl-2-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol 76859-62-6 CC(C)C1=CC(O)=C(C)C(OC2OC(CO)C(O)C(O)C2O)=C1 InChI=1S/C16H24O7/c1-7(2)9-4-10(18)8(3)11(5-9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3 KKDBPBRQLCHZDX-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 1-hydroxy-4-unsubstituted benzenoids Acetals Aromatic monoterpenoids Cumenes Hexoses Hydrocarbon derivatives Monocyclic monoterpenoids O-glycosyl compounds Ortho cresols Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Phenylpropanes Polyols Primary alcohols Secondary alcohols Toluenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Aromatic monoterpenoid Benzenoid Cumene Hexose monosaccharide Hydrocarbon derivative Monocyclic benzene moiety Monocyclic monoterpenoid Monosaccharide Monoterpenoid O-cresol O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane P-cymene Phenol Phenol ether Phenolic glycoside Phenoxy compound Phenylpropane Polyol Primary alcohol Secondary alcohol Toluene logp 0.26 ALOGPS logs -1.69 ALOGPS solubility 6.71e+00 g/l ALOGPS melting_point Mp 177-178° logp 0.86 ChemAxon pka_strongest_acidic 9.92 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-[3-hydroxy-2-methyl-5-(propan-2-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 328.3576 ChemAxon mono_mass 328.152203122 ChemAxon smiles CC(C)C1=CC(O)=C(C)C(OC2OC(CO)C(O)C(O)C2O)=C1 ChemAxon formula C16H24O7 ChemAxon inchi InChI=1S/C16H24O7/c1-7(2)9-4-10(18)8(3)11(5-9)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3 ChemAxon inchikey KKDBPBRQLCHZDX-UHFFFAOYSA-N ChemAxon polar_surface_area 119.61 ChemAxon refractivity 81.4 ChemAxon polarizability 33.89 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25232 Specdb::CMs 41542 Specdb::CMs 134476 Specdb::CMs 142210 Specdb::NmrOneD 159470 Specdb::NmrOneD 159471 Specdb::NmrOneD 159472 Specdb::NmrOneD 159473 Specdb::NmrOneD 159474 Specdb::NmrOneD 159475 Specdb::NmrOneD 159476 Specdb::NmrOneD 159477 Specdb::NmrOneD 159478 Specdb::NmrOneD 159479 Specdb::NmrOneD 159480 Specdb::NmrOneD 159481 Specdb::NmrOneD 159482 Specdb::NmrOneD 159483 Specdb::NmrOneD 159484 Specdb::NmrOneD 159485 Specdb::NmrOneD 159486 Specdb::NmrOneD 159487 Specdb::NmrOneD 159488 Specdb::NmrOneD 159489 Specdb::MsMs 84258 Specdb::MsMs 84259 Specdb::MsMs 84260 Specdb::MsMs 146061 Specdb::MsMs 146062 Specdb::MsMs 146063 Specdb::MsMs 2303751 Specdb::MsMs 2303752 Specdb::MsMs 2303753 Specdb::MsMs 3065870 Specdb::MsMs 3065871 Specdb::MsMs 3065872 HMDB29777 #<Reference:0x00007f08c5df1108>