1.0 2010-04-08 22:13:59 UTC 2025-11-19 02:15:22 UTC FDB018873 Kaempferol 3-rhamnoside 7-galacturonide Isolated from Silybum marianum (milk thistle). Kaempferol 3-rhamnoside 7-galacturonide is found in coffee and coffee products and green vegetables. 3,4',5,7-Tetrahydroxyflavone 3-O-a-L-rhamnopyranoside 7-O-b-D-galacturonopyranoside Kaempferol 3-O-a-L-rhamnopyranoside 7-O-b-D-galacturonopyranoside Kaempferol 3-O-a-L-rhamnoside 7-O-b-D-galacturonide Kaempferol 3-rhamnoside 7-galacturonide Kaempferol 3-rhamnoside-7-galacturonide C27H28O16 608.5016 608.137734848 3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid 3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-7-yl]oxy}oxane-2-carboxylic acid 124167-98-2 CC1OC(OC2=C(OC3=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C27H28O16/c1-8-15(30)17(32)20(35)26(39-8)42-23-16(31)14-12(29)6-11(7-13(14)41-22(23)9-2-4-10(28)5-3-9)40-27-21(36)18(33)19(34)24(43-27)25(37)38/h2-8,15,17-21,24,26-30,32-36H,1H3,(H,37,38) MKGZGCPBKPSTST-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Benzene and substituted derivatives Chromones Flavones Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Flavone Flavonoid-3-o-glycoside Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.36 ALOGPS logs -2.30 ALOGPS solubility 3.02e+00 g/l ALOGPS logp -0.74 ChemAxon pka_strongest_acidic 2.72 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid ChemAxon average_mass 608.5016 ChemAxon mono_mass 608.137734848 ChemAxon smiles CC1OC(OC2=C(OC3=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C27H28O16 ChemAxon inchi InChI=1S/C27H28O16/c1-8-15(30)17(32)20(35)26(39-8)42-23-16(31)14-12(29)6-11(7-13(14)41-22(23)9-2-4-10(28)5-3-9)40-27-21(36)18(33)19(34)24(43-27)25(37)38/h2-8,15,17-21,24,26-30,32-36H,1H3,(H,37,38) ChemAxon inchikey MKGZGCPBKPSTST-UHFFFAOYSA-N ChemAxon polar_surface_area 262.36 ChemAxon refractivity 137.76 ChemAxon polarizability 57.37 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 16 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22868 Specdb::CMs 481382 Specdb::CMs 481383 Specdb::CMs 481384 Specdb::CMs 481385 Specdb::CMs 481386 Specdb::CMs 481387 Specdb::CMs 481388 Specdb::CMs 481389 Specdb::CMs 481390 Specdb::CMs 481391 Specdb::CMs 481392 Specdb::CMs 481393 Specdb::CMs 481394 Specdb::CMs 481395 Specdb::CMs 481396 Specdb::CMs 481397 Specdb::CMs 481398 Specdb::CMs 481399 Specdb::CMs 481400 Specdb::CMs 481401 Specdb::CMs 481402 Specdb::CMs 481403 Specdb::CMs 481404 Specdb::CMs 481405 Specdb::MsMs 76965 Specdb::MsMs 76966 Specdb::MsMs 76967 Specdb::MsMs 136938 Specdb::MsMs 136939 Specdb::MsMs 136940 Specdb::MsMs 2804322 Specdb::MsMs 2804323 Specdb::MsMs 2804324 Specdb::MsMs 2873813 Specdb::MsMs 2873814 Specdb::MsMs 2873815 Specdb::NmrOneD 32222 Specdb::NmrOneD 32223 Specdb::NmrOneD 32224 Specdb::NmrOneD 32225 Specdb::NmrOneD 32226 Specdb::NmrOneD 32227 Specdb::NmrOneD 32228 Specdb::NmrOneD 32229 Specdb::NmrOneD 32230 Specdb::NmrOneD 32231 Specdb::NmrOneD 32232 Specdb::NmrOneD 32233 Specdb::NmrOneD 32234 Specdb::NmrOneD 32235 Specdb::NmrOneD 32236 Specdb::NmrOneD 32237 Specdb::NmrOneD 32238 Specdb::NmrOneD 32239 Specdb::NmrOneD 32240 Specdb::NmrOneD 32241 HMDB39320 #<Reference:0x000055ce31c5f3f0> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Green vegetables Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390