1.0 2010-04-08 22:14:54 UTC 2018-05-29 01:45:41 UTC FDB020248 Quercetin 3-xylosyl-(1->6)-glucoside Isolated from Cistus ladanifer (labdanum) bee pollen Quercetin 3-xylosyl-(1->6)-glucoside C26H28O16 596.4909 596.137734848 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one 142905-18-8 OC1COC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C1O InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2 YNMFDPCLPIMRFD-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Catechols Chromones Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Disaccharide Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.20 ALOGPS logs -2.18 ALOGPS solubility 3.97e+00 g/l ALOGPS logp -1.3 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 596.4909 ChemAxon mono_mass 596.137734848 ChemAxon smiles OC1COC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C1O ChemAxon formula C26H28O16 ChemAxon inchi InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2 ChemAxon inchikey YNMFDPCLPIMRFD-UHFFFAOYSA-N ChemAxon polar_surface_area 265.52 ChemAxon refractivity 135.73 ChemAxon polarizability 56.09 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 16 ChemAxon donor_count 10 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 40782 Specdb::NmrOneD 40783 Specdb::NmrOneD 40784 Specdb::NmrOneD 40785 Specdb::NmrOneD 40786 Specdb::NmrOneD 40787 Specdb::NmrOneD 40788 Specdb::NmrOneD 40789 Specdb::NmrOneD 40790 Specdb::NmrOneD 40791 Specdb::NmrOneD 40792 Specdb::NmrOneD 40793 Specdb::NmrOneD 40794 Specdb::NmrOneD 40795 Specdb::NmrOneD 40796 Specdb::NmrOneD 40797 Specdb::NmrOneD 40798 Specdb::NmrOneD 40799 Specdb::NmrOneD 40800 Specdb::NmrOneD 40801 Specdb::CMs 17476 Specdb::CMs 46795 Specdb::CMs 283059 Specdb::CMs 450895 Specdb::CMs 450896 Specdb::CMs 450897 Specdb::CMs 450898 Specdb::CMs 450899 Specdb::CMs 450900 Specdb::CMs 450901 Specdb::CMs 450902 Specdb::CMs 450903 Specdb::CMs 450904 Specdb::CMs 450905 Specdb::CMs 450906 Specdb::CMs 450907 Specdb::CMs 450908 Specdb::CMs 450909 Specdb::CMs 450910 Specdb::CMs 450911 Specdb::CMs 450912 Specdb::CMs 450913 Specdb::CMs 450914 Specdb::CMs 450915 Specdb::CMs 450916 Specdb::MsMs 304633 Specdb::MsMs 304634 Specdb::MsMs 304635 Specdb::MsMs 347896 Specdb::MsMs 347897 Specdb::MsMs 347898 Specdb::MsMs 2234016 Specdb::MsMs 2234903 Specdb::MsMs 2252790 Specdb::MsMs 2253671 Specdb::MsMs 2254903 Specdb::MsMs 2254939 Specdb::MsMs 2255613 Specdb::MsMs 2255687 Specdb::MsMs 2256831 Specdb::MsMs 2257028 Specdb::MsMs 2257587 Specdb::MsMs 2257750 Specdb::MsMs 2258800 Specdb::MsMs 2258971 Specdb::MsMs 2259792 Specdb::MsMs 2763037 Specdb::MsMs 2763038 Specdb::MsMs 2763039 Specdb::MsMs 2942038 HMDB40488 #<Reference:0x000055ce331fc0a0>