1.0 2010-04-08 22:14:54 UTC 2019-11-26 03:18:40 UTC FDB020242 Quercetin 3-sophorotrioside 7-rhamnoside Constituent of Solanum subspecies [DFC]. Quercetin 3-sophorotrioside 7-rhamnoside is found in root vegetables. Quercetin 3-[glucosyl-(1->2)-glucosyl-(1->2)-glucoside] 7-rhamnoside Quercetin 3-O-[b-D-glucopyranosyl-(1->2)-b-D-glucopyranosyl-(1->2)-b-D-glucopyranoside] 7-O-a-L-rhamnopyranoside Quercetin 3-O-[b-D-glucosyl-(1->2)-b-D-glucosyl-(1->2)-b-D-glucoside] 7-O-a-L-rhamnoside Quercetin 3-sophorotrioside 7-rhamnoside C39H50O26 934.7987 934.259031772 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]-2-(3,4-dihydroxyphenyl)-5-hydroxy-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]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one 72089-32-8 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(O)=C(O)C=C2)C(O)C(O)C1O InChI=1S/C39H50O26/c1-10-21(46)26(51)30(55)36(57-10)58-12-5-15(45)20-16(6-12)59-32(11-2-3-13(43)14(44)4-11)33(25(20)50)63-38-35(29(54)24(49)18(8-41)61-38)65-39-34(28(53)23(48)19(9-42)62-39)64-37-31(56)27(52)22(47)17(7-40)60-37/h2-6,10,17-19,21-24,26-31,34-49,51-56H,7-9H2,1H3 KVPHQBGTGFAPTB-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 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Benzene and substituted derivatives Catechols 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 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol 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 -0.77 ALOGPS logs -1.59 ALOGPS solubility 2.38e+01 g/l ALOGPS logp -4.9 ChemAxon pka_strongest_acidic 8.11 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]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 934.7987 ChemAxon mono_mass 934.259031772 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(O)=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C39H50O26 ChemAxon inchi InChI=1S/C39H50O26/c1-10-21(46)26(51)30(55)36(57-10)58-12-5-15(45)20-16(6-12)59-32(11-2-3-13(43)14(44)4-11)33(25(20)50)63-38-35(29(54)24(49)18(8-41)61-38)65-39-34(28(53)23(48)19(9-42)62-39)64-37-31(56)27(52)22(47)17(7-40)60-37/h2-6,10,17-19,21-24,26-31,34-49,51-56H,7-9H2,1H3 ChemAxon inchikey KVPHQBGTGFAPTB-UHFFFAOYSA-N ChemAxon polar_surface_area 423.82 ChemAxon refractivity 204.7 ChemAxon polarizability 89.07 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 26 ChemAxon donor_count 16 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 312355 Specdb::MsMs 312356 Specdb::MsMs 312357 Specdb::MsMs 357589 Specdb::MsMs 357590 Specdb::MsMs 357591 Specdb::MsMs 2325567 Specdb::MsMs 2325568 Specdb::MsMs 2325569 Specdb::MsMs 2610581 Specdb::MsMs 2610582 Specdb::MsMs 2610583 Specdb::NmrOneD 40682 Specdb::NmrOneD 40683 Specdb::NmrOneD 40684 Specdb::NmrOneD 40685 Specdb::NmrOneD 40686 Specdb::NmrOneD 40687 Specdb::NmrOneD 40688 Specdb::NmrOneD 40689 Specdb::NmrOneD 40690 Specdb::NmrOneD 40691 Specdb::NmrOneD 40692 Specdb::NmrOneD 40693 Specdb::NmrOneD 40694 Specdb::NmrOneD 40695 Specdb::NmrOneD 40696 Specdb::NmrOneD 40697 Specdb::NmrOneD 40698 Specdb::NmrOneD 40699 Specdb::NmrOneD 40700 Specdb::NmrOneD 40701 HMDB40483 #<Reference:0x000055ce3334fbc8> Root vegetables Unknown generic