1.0 2010-04-08 22:10:38 UTC 2025-11-18 23:43:20 UTC FDB013300 4-Methoxybenzyl O-(2-sulfoglucoside) Found in fennel 4-Methoxybenzyl a-O-(2-O-sulfo-b-D-glucopyranoside) 4-Methoxybenzyl a-O-(2-O-sulfo-b-D-glucoside) 4-Methoxybenzyl a-O-(2-sulfoglucoside) 4-Methoxybenzyl alpha-O-(2-sulfoglucoside) 4-Methoxybenzyl O-(2-sulfoglucoside) C14H20O10S 380.368 380.07771755 [4,5-dihydroxy-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxy]oxan-3-yl]oxidanesulfonic acid [4,5-dihydroxy-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxy]oxan-3-yl]oxidanesulfonic acid COC1=CC=C(COC2OC(CO)C(O)C(O)C2OS(O)(=O)=O)C=C1 InChI=1S/C14H20O10S/c1-21-9-4-2-8(3-5-9)7-22-14-13(24-25(18,19)20)12(17)11(16)10(6-15)23-14/h2-5,10-17H,6-7H2,1H3,(H,18,19,20) LILHPDXFNPJEJC-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 Alkyl sulfates Anisoles Hexoses Hydrocarbon derivatives Methoxybenzenes Organic oxides Oxacyclic compounds Oxanes Phenoxy compounds Primary alcohols Secondary alcohols Sulfuric acid monoesters Acetal Alcohol Alkyl aryl ether Alkyl sulfate Anisole Aromatic heteromonocyclic compound Benzenoid Ether Hexose monosaccharide Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic sulfuric acid or derivatives Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenoxy compound Primary alcohol Secondary alcohol Sulfate-ester Sulfuric acid ester Sulfuric acid monoester logp -1.15 ALOGPS logs -1.49 ALOGPS solubility 1.24e+01 g/l ALOGPS melting_point Mp 149-151° (Na salt) logp -2.4 ChemAxon pka_strongest_acidic -1.8 ChemAxon pka_strongest_basic -3 ChemAxon iupac [4,5-dihydroxy-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxy]oxan-3-yl]oxidanesulfonic acid ChemAxon average_mass 380.368 ChemAxon mono_mass 380.07771755 ChemAxon smiles COC1=CC=C(COC2OC(CO)C(O)C(O)C2OS(O)(=O)=O)C=C1 ChemAxon formula C14H20O10S ChemAxon inchi InChI=1S/C14H20O10S/c1-21-9-4-2-8(3-5-9)7-22-14-13(24-25(18,19)20)12(17)11(16)10(6-15)23-14/h2-5,10-17H,6-7H2,1H3,(H,18,19,20) ChemAxon inchikey LILHPDXFNPJEJC-UHFFFAOYSA-N ChemAxon polar_surface_area 151.98 ChemAxon refractivity 81.74 ChemAxon polarizability 35.66 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 9 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10834 Specdb::CMs 44031 Specdb::CMs 152994 Specdb::MsMs 59001 Specdb::MsMs 59002 Specdb::MsMs 59003 Specdb::MsMs 115041 Specdb::MsMs 115042 Specdb::MsMs 115043 Specdb::MsMs 2384624 Specdb::MsMs 2384625 Specdb::MsMs 2384626 Specdb::MsMs 2577171 Specdb::MsMs 2577172 Specdb::MsMs 2577173 Specdb::NmrOneD 127518 Specdb::NmrOneD 127519 Specdb::NmrOneD 127520 Specdb::NmrOneD 127521 Specdb::NmrOneD 127522 Specdb::NmrOneD 127523 Specdb::NmrOneD 127524 Specdb::NmrOneD 127525 Specdb::NmrOneD 127526 Specdb::NmrOneD 127527 Specdb::NmrOneD 127528 Specdb::NmrOneD 127529 Specdb::NmrOneD 127530 Specdb::NmrOneD 127531 Specdb::NmrOneD 127532 Specdb::NmrOneD 127533 Specdb::NmrOneD 127534 Specdb::NmrOneD 127535 Specdb::NmrOneD 127536 Specdb::NmrOneD 127537 HMDB34754 #<Reference:0x000055ce32d1c030> Herbs and Spices Unknown generic