1.0 2010-04-08 22:13:49 UTC 2019-11-26 03:16:23 UTC FDB018603 Procyanidin B3 7-glucoside Isolated from Rheum subspecies Procyanidin B3 7-glucoside is found in green vegetables. 7-O-beta-D-Glucopyranosylcatechin-(4alpha->8)-catechin Procyanidin B3 7-glucoside C36H36O17 740.6608 740.195249726 (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 105330-57-2 OC[C@H]1O[C@@H](OC2=CC(O)=C3[C@H]([C@H](O)[C@H](OC3=C2)C2=CC=C(O)C(O)=C2)C2=C3O[C@@H]([C@@H](O)CC3=C(O)C=C2O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C36H36O17/c37-11-25-29(46)31(48)32(49)36(52-25)50-14-7-21(43)26-24(8-14)51-34(13-2-4-17(39)20(42)6-13)30(47)28(26)27-22(44)10-18(40)15-9-23(45)33(53-35(15)27)12-1-3-16(38)19(41)5-12/h1-8,10,23,25,28-34,36-49H,9,11H2/t23-,25+,28-,29+,30-,31-,32+,33+,34+,36+/m0/s1 JQKHCULJNVYRGT-XOLODHEFSA-N belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Biflavonoids and polyflavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids Biflavonoids and polyflavonoids 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 Acetals Alkyl aryl ethers B-type proanthocyanidins Benzene and substituted derivatives Catechins Catechols Flavonoid-7-O-glycosides Hexoses Hydrocarbon derivatives O-glycosyl compounds 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 Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound B-type proanthocyanidin Benzenoid Benzopyran Bi- and polyflavonoid skeleton Catechin Catechol Chromane Ether Flavan Flavan-3-ol Flavonoid o-glycoside Flavonoid-7-o-glycoside Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Proanthocyanidin Secondary alcohol logp 1.40 ALOGPS logs -3.14 ALOGPS solubility 5.31e-01 g/l ALOGPS logp 0.85 ChemAxon pka_strongest_acidic 8.73 ChemAxon pka_strongest_basic -4 ChemAxon iupac (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol ChemAxon average_mass 740.6608 ChemAxon mono_mass 740.195249726 ChemAxon smiles OC[C@H]1O[C@@H](OC2=CC(O)=C3[C@H]([C@H](O)[C@H](OC3=C2)C2=CC=C(O)C(O)=C2)C2=C3O[C@@H]([C@@H](O)CC3=C(O)C=C2O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C36H36O17 ChemAxon inchi InChI=1S/C36H36O17/c37-11-25-29(46)31(48)32(49)36(52-25)50-14-7-21(43)26-24(8-14)51-34(13-2-4-17(39)20(42)6-13)30(47)28(26)27-22(44)10-18(40)15-9-23(45)33(53-35(15)27)12-1-3-16(38)19(41)5-12/h1-8,10,23,25,28-34,36-49H,9,11H2/t23-,25+,28-,29+,30-,31-,32+,33+,34+,36+/m0/s1 ChemAxon inchikey JQKHCULJNVYRGT-XOLODHEFSA-N ChemAxon polar_surface_area 299.91 ChemAxon refractivity 178.65 ChemAxon polarizability 72.94 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 17 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 47232 Specdb::MsMs 47233 Specdb::MsMs 47234 Specdb::MsMs 170277 Specdb::MsMs 170278 Specdb::MsMs 170279 Specdb::MsMs 2412391 Specdb::MsMs 2412392 Specdb::MsMs 2412393 Specdb::MsMs 2549814 Specdb::MsMs 2549815 Specdb::MsMs 2549816 Specdb::CMs 770540 Specdb::CMs 770541 Specdb::CMs 770542 Specdb::CMs 770543 Specdb::CMs 770544 Specdb::CMs 770545 Specdb::CMs 770546 Specdb::CMs 770547 Specdb::CMs 770548 Specdb::CMs 770549 Specdb::CMs 770550 Specdb::CMs 770551 Specdb::CMs 770552 Specdb::CMs 770553 Specdb::CMs 770554 Specdb::CMs 770555 Specdb::CMs 770556 Specdb::CMs 770557 Specdb::CMs 770558 Specdb::CMs 770559 Specdb::CMs 770560 Specdb::CMs 770561 Specdb::CMs 770562 Specdb::CMs 770563 Specdb::CMs 770564 HMDB39099 #<Reference:0x000055ce324b7818> Green vegetables Unknown generic