1.0 2010-04-08 22:12:51 UTC 2025-11-19 01:52:12 UTC FDB017121 Catechin 3',4'-diglucoside Isolated from commercial rhubarb Rheum subspecies Catechin 3',4'-diglucoside is found in green vegetables. Catechin 3',4'-di-O-beta-D-glucopyranoside Catechin 3',4'-diglucoside C27H34O16 614.5493 614.18468504 2-[3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phenyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 2-[3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phenyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 105330-55-0 OCC1OC(OC2=C(OC3OC(CO)C(O)C(O)C3O)C=C(C=C2)C2OC3=CC(O)=CC(O)=C3CC2O)C(O)C(O)C1O InChI=1S/C27H34O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-14-2-1-9(25-13(32)6-11-12(31)4-10(30)5-15(11)39-25)3-16(14)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-5,13,17-38H,6-8H2 WEXDMQBFSBEMLP-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Flavonoid O-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 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Catechins Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechin Chromane Ether Flavan Flavan-3-ol Flavonoid o-glycoside Flavonoid-3p-o-glycoside Flavonoid-4p-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 ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol logp -1.42 ALOGPS logs -1.95 ALOGPS solubility 6.91e+00 g/l ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 9.43 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-[3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phenyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol ChemAxon average_mass 614.5493 ChemAxon mono_mass 614.18468504 ChemAxon smiles OCC1OC(OC2=C(OC3OC(CO)C(O)C(O)C3O)C=C(C=C2)C2OC3=CC(O)=CC(O)=C3CC2O)C(O)C(O)C1O ChemAxon formula C27H34O16 ChemAxon inchi InChI=1S/C27H34O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-14-2-1-9(25-13(32)6-11-12(31)4-10(30)5-15(11)39-25)3-16(14)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-5,13,17-38H,6-8H2 ChemAxon inchikey WEXDMQBFSBEMLP-UHFFFAOYSA-N ChemAxon polar_surface_area 268.68 ChemAxon refractivity 138.29 ChemAxon polarizability 59.27 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16512 Specdb::CMs 530726 Specdb::CMs 530727 Specdb::CMs 530728 Specdb::CMs 530729 Specdb::CMs 530730 Specdb::CMs 530731 Specdb::CMs 530732 Specdb::CMs 530733 Specdb::CMs 530734 Specdb::CMs 530735 Specdb::CMs 530736 Specdb::CMs 530737 Specdb::CMs 530738 Specdb::CMs 530739 Specdb::CMs 530740 Specdb::CMs 530741 Specdb::CMs 530742 Specdb::CMs 530743 Specdb::CMs 530744 Specdb::CMs 530745 Specdb::CMs 530746 Specdb::CMs 530747 Specdb::CMs 530748 Specdb::CMs 530749 Specdb::MsMs 7247 Specdb::MsMs 7248 Specdb::MsMs 7249 Specdb::MsMs 13919 Specdb::MsMs 13920 Specdb::MsMs 13921 Specdb::MsMs 2431417 Specdb::MsMs 2431418 Specdb::MsMs 2431419 Specdb::MsMs 2507845 Specdb::MsMs 2507846 Specdb::MsMs 2507847 Specdb::NmrOneD 23882 Specdb::NmrOneD 23883 Specdb::NmrOneD 23884 Specdb::NmrOneD 23885 Specdb::NmrOneD 23886 Specdb::NmrOneD 23887 Specdb::NmrOneD 23888 Specdb::NmrOneD 23889 Specdb::NmrOneD 23890 Specdb::NmrOneD 23891 Specdb::NmrOneD 23892 Specdb::NmrOneD 23893 Specdb::NmrOneD 23894 Specdb::NmrOneD 23895 Specdb::NmrOneD 23896 Specdb::NmrOneD 23897 Specdb::NmrOneD 23898 Specdb::NmrOneD 23899 Specdb::NmrOneD 23900 Specdb::NmrOneD 23901 HMDB37950 #<Reference:0x000055ce32b00918> Green vegetables Unknown generic