1.0 2010-04-08 22:12:27 UTC 2025-11-19 01:47:20 UTC FDB016477 Kaempferol 3-sophorotrioside 7-rhamnoside Isolated from Solanum tuberosum (potato). Kaempferol 3-sophorotrioside 7-rhamnoside is found in alcoholic beverages and potato. Kaempferol 3-sophorotrioside-7-rhamnoside C39H50O25 918.7993 918.26411715 3-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one 3-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one 50906-48-4 CC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C39H50O25/c1-11-21(45)26(50)30(54)36(56-11)57-14-6-15(44)20-16(7-14)58-32(12-2-4-13(43)5-3-12)33(25(20)49)62-38-35(29(53)24(48)18(9-41)60-38)64-39-34(28(52)23(47)19(10-42)61-39)63-37-31(55)27(51)22(46)17(8-40)59-37/h2-7,11,17-19,21-24,26-31,34-48,50-55H,8-10H2,1H3 BFCBWGVCQKVMCS-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 O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols 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 O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.74 ALOGPS logs -1.63 ALOGPS solubility 2.16e+01 g/l ALOGPS melting_point Mp 196-198° logp -4.6 ChemAxon pka_strongest_acidic 8.1 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 918.7993 ChemAxon mono_mass 918.26411715 ChemAxon smiles CC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C39H50O25 ChemAxon inchi InChI=1S/C39H50O25/c1-11-21(45)26(50)30(54)36(56-11)57-14-6-15(44)20-16(7-14)58-32(12-2-4-13(43)5-3-12)33(25(20)49)62-38-35(29(53)24(48)18(9-41)60-38)64-39-34(28(52)23(47)19(10-42)61-39)63-37-31(55)27(51)22(46)17(8-40)59-37/h2-7,11,17-19,21-24,26-31,34-48,50-55H,8-10H2,1H3 ChemAxon inchikey BFCBWGVCQKVMCS-UHFFFAOYSA-N ChemAxon polar_surface_area 403.59 ChemAxon refractivity 202.72 ChemAxon polarizability 87.51 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 25 ChemAxon donor_count 15 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 140810 Specdb::NmrOneD 140811 Specdb::NmrOneD 140812 Specdb::NmrOneD 140813 Specdb::NmrOneD 140814 Specdb::NmrOneD 140815 Specdb::NmrOneD 140816 Specdb::NmrOneD 140817 Specdb::NmrOneD 140818 Specdb::NmrOneD 140819 Specdb::NmrOneD 140820 Specdb::NmrOneD 140821 Specdb::NmrOneD 140822 Specdb::NmrOneD 140823 Specdb::NmrOneD 140824 Specdb::NmrOneD 140825 Specdb::NmrOneD 140826 Specdb::NmrOneD 140827 Specdb::NmrOneD 140828 Specdb::NmrOneD 140829 Specdb::MsMs 104595 Specdb::MsMs 104596 Specdb::MsMs 104597 Specdb::MsMs 170910 Specdb::MsMs 170911 Specdb::MsMs 170912 Specdb::MsMs 2718825 Specdb::MsMs 2718826 Specdb::MsMs 2718827 Specdb::MsMs 2963199 Specdb::MsMs 2963200 Specdb::MsMs 2963201 HMDB37428 #<Reference:0x000055ce331126f8> Alcoholic beverages Unknown generic Potato Type 1 specific Solanum tuberosum 4113