1.0 2010-04-08 22:12:26 UTC 2019-11-26 03:13:15 UTC FDB016445 Epicatechin 8-C-glucoside Isolated from bark of Chinese cinnamon Cinnamomum cassia. Epicatechin 8-C-glucoside is found in chinese cinnamon and herbs and spices. (-)-Epicatechin 8-C-glucoside 8-C-Glucopyranosylepicatechin 8-Glucopyranosyl-(-)-epicatechin 8-Glucosyl-(-)-epicatechin Epicatechin 8-C-glucoside C21H24O11 452.4087 452.13186161 (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 8-C-glucopyranosylepicatechin 103215-48-1 OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C(O)C2=C1O[C@@H]([C@H](O)C2)C1=CC=C(O)C(O)=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/t13-,14-,16-,17+,18-,19-,21?/m1/s1 XWDHVYPMZCGHNM-BESDQCQNSA-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 (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(3R,4R,5S,6R)-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 OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C(O)C2=C1O[C@@H]([C@H](O)C2)C1=CC=C(O)C(O)=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/t13-,14-,16-,17+,18-,19-,21?/m1/s1 ChemAxon inchikey XWDHVYPMZCGHNM-BESDQCQNSA-N ChemAxon polar_surface_area 200.53 ChemAxon refractivity 107.12 ChemAxon polarizability 43.13 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 11 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13735 Specdb::CMs 45369 Specdb::CMs 156585 Specdb::CMs 156587 Specdb::CMs 156589 Specdb::CMs 156591 Specdb::CMs 156593 Specdb::CMs 156595 Specdb::CMs 156597 Specdb::CMs 156599 Specdb::CMs 156601 Specdb::CMs 156603 Specdb::CMs 156605 Specdb::CMs 156607 Specdb::CMs 156608 Specdb::CMs 156610 Specdb::CMs 156612 Specdb::CMs 156614 Specdb::CMs 156616 Specdb::CMs 156618 Specdb::CMs 156620 Specdb::CMs 156622 Specdb::CMs 156624 Specdb::CMs 156626 Specdb::CMs 156628 Specdb::NmrOneD 140490 Specdb::NmrOneD 140491 Specdb::NmrOneD 140492 Specdb::NmrOneD 140493 Specdb::NmrOneD 140494 Specdb::NmrOneD 140495 Specdb::NmrOneD 140496 Specdb::NmrOneD 140497 Specdb::NmrOneD 140498 Specdb::NmrOneD 140499 Specdb::NmrOneD 140500 Specdb::NmrOneD 140501 Specdb::NmrOneD 140502 Specdb::NmrOneD 140503 Specdb::NmrOneD 140504 Specdb::NmrOneD 140505 Specdb::NmrOneD 140506 Specdb::NmrOneD 140507 Specdb::NmrOneD 140508 Specdb::NmrOneD 140509 Specdb::MsMs 75738 Specdb::MsMs 75739 Specdb::MsMs 75740 Specdb::MsMs 135435 Specdb::MsMs 135436 Specdb::MsMs 135437 Specdb::MsMs 2750152 Specdb::MsMs 2750153 Specdb::MsMs 2750154 Specdb::MsMs 2929198 Specdb::MsMs 2929199 Specdb::MsMs 2929200 HMDB37401 #<Reference:0x00007f093c09b478> Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Herbs and Spices Unknown generic