1.0 2010-04-08 22:15:01 UTC 2025-11-19 02:31:39 UTC FDB020427 (7'R,8'S)-4,7'-Epoxy-3,8'-bilign-7-ene-3',5-dimethoxy-4',9,9'-triol 4'-glucoside Constituent of Citrus subspecies (7'R,8'S)-4,7'-Epoxy-3,8'-bilign-7-ene-3',5-dimethoxy-4',9,9'-triol 4'-glucoside is found in citrus. (7'R,8'S)-4,7'-Epoxy-3,8'-bilign-7-ene-3',5-dimethoxy-4',9,9'-triol 4'-glucoside (7'R,8'S)-4,7'-Epoxy-3,8'-bilign-7-ene-3',5-dimethoxy-4',9,9'-triol 4'-O-b-D-glucopyranoside (7'R,8'S)-4,7'-Epoxy-3,8'-bilign-7-ene-3',5-dimethoxy-4',9,9'-triol 4'-O-b-D-glucoside 4,7'R-Epoxy-3,8'S-bilign-7-ene-3',5-dimethoxy-4',9,9'-triol 4'-glucoside C26H32O11 520.5257 520.194461866 2-(hydroxymethyl)-6-{4-[3-(hydroxymethyl)-5-[(1Z)-3-hydroxyprop-1-en-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy}oxane-3,4,5-triol 2-(hydroxymethyl)-6-{4-[3-(hydroxymethyl)-5-[(1Z)-3-hydroxyprop-1-en-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy}oxane-3,4,5-triol 107870-87-1 COC1=CC(\C=C/CO)=CC2=C1OC(C2CO)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1 InChI=1S/C26H32O11/c1-33-18-10-14(5-6-17(18)35-26-23(32)22(31)21(30)20(12-29)36-26)24-16(11-28)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h3-6,8-10,16,20-24,26-32H,7,11-12H2,1-2H3/b4-3- SPWHQAUMLDQOFU-ARJAWSKDSA-N belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 2-arylbenzofuran flavonoids Organic compounds Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Aromatic heteropolycyclic compounds Acetals Alkyl aryl ethers Anisoles Benzofurans Coumarans Hydrocarbon derivatives Lignan glycosides Methoxybenzenes Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols Styrenes 2-arylbenzofuran flavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Coumaran Ether Glycosyl compound Hydrocarbon derivative Lignan glycoside Methoxybenzene Monocyclic benzene moiety Monosaccharide Neolignan skeleton O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Styrene logp 0.82 ALOGPS logs -3.12 ALOGPS solubility 3.94e-01 g/l ALOGPS logp -0.43 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -2.5 ChemAxon iupac 2-(hydroxymethyl)-6-{4-[3-(hydroxymethyl)-5-[(1Z)-3-hydroxyprop-1-en-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy}oxane-3,4,5-triol ChemAxon average_mass 520.5257 ChemAxon mono_mass 520.194461866 ChemAxon smiles COC1=CC(\C=C/CO)=CC2=C1OC(C2CO)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1 ChemAxon formula C26H32O11 ChemAxon inchi InChI=1S/C26H32O11/c1-33-18-10-14(5-6-17(18)35-26-23(32)22(31)21(30)20(12-29)36-26)24-16(11-28)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h3-6,8-10,16,20-24,26-32H,7,11-12H2,1-2H3/b4-3- ChemAxon inchikey SPWHQAUMLDQOFU-ARJAWSKDSA-N ChemAxon polar_surface_area 167.53 ChemAxon refractivity 130.6 ChemAxon polarizability 53.94 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17031 Specdb::CMs 46877 Specdb::NmrOneD 42442 Specdb::NmrOneD 42443 Specdb::NmrOneD 42444 Specdb::NmrOneD 42445 Specdb::NmrOneD 42446 Specdb::NmrOneD 42447 Specdb::NmrOneD 42448 Specdb::NmrOneD 42449 Specdb::NmrOneD 42450 Specdb::NmrOneD 42451 Specdb::NmrOneD 42452 Specdb::NmrOneD 42453 Specdb::NmrOneD 42454 Specdb::NmrOneD 42455 Specdb::NmrOneD 42456 Specdb::NmrOneD 42457 Specdb::NmrOneD 42458 Specdb::NmrOneD 42459 Specdb::NmrOneD 42460 Specdb::NmrOneD 42461 Specdb::MsMs 303700 Specdb::MsMs 303701 Specdb::MsMs 303702 Specdb::MsMs 346699 Specdb::MsMs 346700 Specdb::MsMs 346701 Specdb::MsMs 2328726 Specdb::MsMs 2328727 Specdb::MsMs 2328728 Specdb::MsMs 2633951 Specdb::MsMs 2633952 Specdb::MsMs 2633953 HMDB0040636 Citrus Unknown generic