1.0 2010-04-08 22:12:26 UTC 2019-11-26 03:13:15 UTC FDB016446 Catechin 8-C-glucoside Isolated from Rheum species (rhubarb). Catechin 8-C-glucoside is found in green vegetables. (+)-Catechin 8-C-glucoside 8-C-Glucopyranosylcatechin 8-Glucopyranosyl-(+)-catechin 8-Glucosyl-(+)-catechin Catechin 8-C-glucoside C21H24O11 452.4087 452.13186161 2-(3,4-dihydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 2-(3,4-dihydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 105371-26-4 OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC(C(O)C2)C1=CC(O)=C(O)C=C1 InChI=1S/C21H24O11/c22-6-14-16(28)17(29)18(30)21(31-14)15-12(26)5-10(24)8-4-13(27)19(32-20(8)15)7-1-2-9(23)11(25)3-7/h1-3,5,13-14,16-19,21-30H,4,6H2 XWDHVYPMZCGHNM-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. Flavonoid 8-C-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Benzene and substituted derivatives C-glycosyl compounds Catechins Catechols Dialkyl ethers Hexoses Hydrocarbon derivatives Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran C-glycosyl compound Catechin Catechol Chromane Dialkyl ether Ether Flavan Flavan-3-ol Flavonoid-8-c-glycoside Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Secondary alcohol logp -0.70 ALOGPS logs -2.06 ALOGPS solubility 3.94e+00 g/l ALOGPS logp -0.96 ChemAxon pka_strongest_acidic 8.89 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol ChemAxon average_mass 452.4087 ChemAxon mono_mass 452.13186161 ChemAxon smiles OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC(C(O)C2)C1=CC(O)=C(O)C=C1 ChemAxon formula C21H24O11 ChemAxon inchi InChI=1S/C21H24O11/c22-6-14-16(28)17(29)18(30)21(31-14)15-12(26)5-10(24)8-4-13(27)19(32-20(8)15)7-1-2-9(23)11(25)3-7/h1-3,5,13-14,16-19,21-30H,4,6H2 ChemAxon inchikey XWDHVYPMZCGHNM-UHFFFAOYSA-N ChemAxon polar_surface_area 200.53 ChemAxon refractivity 107.12 ChemAxon polarizability 43.11 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 11 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25957 Specdb::CMs 45370 Specdb::CMs 156638 Specdb::CMs 156640 Specdb::CMs 156642 Specdb::CMs 156644 Specdb::CMs 156646 Specdb::CMs 156648 Specdb::CMs 156650 Specdb::CMs 156652 Specdb::CMs 156655 Specdb::CMs 156657 Specdb::CMs 156658 Specdb::CMs 156660 Specdb::CMs 156662 Specdb::CMs 156665 Specdb::CMs 156666 Specdb::CMs 156668 Specdb::CMs 156671 Specdb::CMs 156673 Specdb::CMs 156675 Specdb::CMs 156677 Specdb::CMs 156679 Specdb::CMs 156681 Specdb::CMs 156683 Specdb::MsMs 7895 Specdb::MsMs 7896 Specdb::MsMs 7897 Specdb::MsMs 12131 Specdb::MsMs 12132 Specdb::MsMs 12133 Specdb::MsMs 14567 Specdb::MsMs 14568 Specdb::MsMs 14569 Specdb::MsMs 18803 Specdb::MsMs 18804 Specdb::MsMs 18805 Specdb::MsMs 2437900 Specdb::MsMs 2437901 Specdb::MsMs 2437902 Specdb::MsMs 2528187 Specdb::MsMs 2528188 Specdb::MsMs 2528189 Specdb::NmrOneD 140510 Specdb::NmrOneD 140511 Specdb::NmrOneD 140512 Specdb::NmrOneD 140513 Specdb::NmrOneD 140514 Specdb::NmrOneD 140515 Specdb::NmrOneD 140516 Specdb::NmrOneD 140517 Specdb::NmrOneD 140518 Specdb::NmrOneD 140519 Specdb::NmrOneD 140520 Specdb::NmrOneD 140521 Specdb::NmrOneD 140522 Specdb::NmrOneD 140523 Specdb::NmrOneD 140524 Specdb::NmrOneD 140525 Specdb::NmrOneD 140526 Specdb::NmrOneD 140527 Specdb::NmrOneD 140528 Specdb::NmrOneD 140529 HMDB37402 #<Reference:0x000055ce30d2af60> Green vegetables Unknown generic