1.0 2010-04-08 22:14:03 UTC 2018-05-29 01:39:34 UTC FDB018956 Cymorcin diglucoside Constituent of fruit of Carum ajowan (ajowan) 5-Isopropyl-2-methyl-1,3-benzenediol di-O-b-D-glucopyranoside 5-Isopropyl-2-methyl-1,3-benzenediol di-O-b-D-glucoside Cymorcin diglucoside C22H34O12 490.4982 490.205026552 2-(hydroxymethyl)-6-[2-methyl-5-(propan-2-yl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]oxane-3,4,5-triol 2-(hydroxymethyl)-6-(5-isopropyl-2-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy)oxane-3,4,5-triol 95-01-2 CC(C)C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(C)C(OC2OC(CO)C(O)C(O)C2O)=C1 InChI=1S/C22H34O12/c1-8(2)10-4-11(31-21-19(29)17(27)15(25)13(6-23)33-21)9(3)12(5-10)32-22-20(30)18(28)16(26)14(7-24)34-22/h4-5,8,13-30H,6-7H2,1-3H3 STVIMSVCYHRGIY-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 Acetals Aromatic monoterpenoids Cumenes Hydrocarbon derivatives Monocyclic monoterpenoids Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Phenylpropanes Polyols Primary alcohols Secondary alcohols Toluenes Acetal Alcohol Aromatic heteromonocyclic compound Aromatic monoterpenoid Benzenoid Cumene Hydrocarbon derivative Monocyclic benzene moiety Monocyclic monoterpenoid Monosaccharide Monoterpenoid O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane P-cymene Phenol ether Phenolic glycoside Phenoxy compound Phenylpropane Polyol Primary alcohol Secondary alcohol Toluene logp -0.98 ALOGPS logs -1.77 ALOGPS solubility 8.36e+00 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 11.9 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-[2-methyl-5-(propan-2-yl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]oxane-3,4,5-triol ChemAxon average_mass 490.4982 ChemAxon mono_mass 490.205026552 ChemAxon smiles CC(C)C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(C)C(OC2OC(CO)C(O)C(O)C2O)=C1 ChemAxon formula C22H34O12 ChemAxon inchi InChI=1S/C22H34O12/c1-8(2)10-4-11(31-21-19(29)17(27)15(25)13(6-23)33-21)9(3)12(5-10)32-22-20(30)18(28)16(26)14(7-24)34-22/h4-5,8,13-30H,6-7H2,1-3H3 ChemAxon inchikey STVIMSVCYHRGIY-UHFFFAOYSA-N ChemAxon polar_surface_area 198.76 ChemAxon refractivity 113.54 ChemAxon polarizability 49.39 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 100677 Specdb::MsMs 100678 Specdb::MsMs 100679 Specdb::MsMs 166086 Specdb::MsMs 166087 Specdb::MsMs 166088 Specdb::MsMs 2274198 Specdb::MsMs 2274199 Specdb::MsMs 2274200 Specdb::MsMs 3091652 Specdb::MsMs 3091653 Specdb::MsMs 3091654 Specdb::CMs 13347 Specdb::CMs 46391 Specdb::CMs 134179 Specdb::CMs 141913 Specdb::NmrOneD 32682 Specdb::NmrOneD 32683 Specdb::NmrOneD 32684 Specdb::NmrOneD 32685 Specdb::NmrOneD 32686 Specdb::NmrOneD 32687 Specdb::NmrOneD 32688 Specdb::NmrOneD 32689 Specdb::NmrOneD 32690 Specdb::NmrOneD 32691 Specdb::NmrOneD 32692 Specdb::NmrOneD 32693 Specdb::NmrOneD 32694 Specdb::NmrOneD 32695 Specdb::NmrOneD 32696 Specdb::NmrOneD 32697 Specdb::NmrOneD 32698 Specdb::NmrOneD 32699 Specdb::NmrOneD 32700 Specdb::NmrOneD 32701 HMDB39386 #<Reference:0x000055ce31ff60e0>