1.0 2010-04-08 22:04:38 UTC 2025-11-18 22:20:17 UTC FDB000607 Isorhamnetin 3-sophoroside 7-glucoside From Brassica napus. Isorhamnetin 3-sophoroside 7-glucoside is found in swede and spinach. Brassicoside Isorhamnetin 3-O-[b-D-glucopyranosyl-(1->2)-b-D-glucopyranoside] 7-O-b-D-glucopyranoside Isorhamnetin 3-sophoroside 7-glucoside. Isorhamnetin 3-sophoroside-7-glucoside C34H42O22 802.6841 802.216773028 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 17331-29-2 COC1=CC(=CC=C1O)C1=C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1 InChI=1S/C34H42O22/c1-49-14-4-10(2-3-12(14)38)29-30(23(43)19-13(39)5-11(6-15(19)51-29)50-32-27(47)24(44)20(40)16(7-35)52-32)55-34-31(26(46)22(42)18(9-37)54-34)56-33-28(48)25(45)21(41)17(8-36)53-33/h2-6,16-18,20-22,24-28,31-42,44-48H,7-9H2,1H3 GFXVHGLRIICEQY-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'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Chromones Disaccharides Flavones Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Disaccharide Ether Flavone Flavonoid-3-o-glycoside Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.97 ALOGPS logs -1.84 ALOGPS solubility 1.15e+01 g/l ALOGPS melting_point Mp 209-212° logp -4 ChemAxon pka_strongest_acidic 8.22 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 802.6841 ChemAxon mono_mass 802.216773028 ChemAxon smiles COC1=CC(=CC=C1O)C1=C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1 ChemAxon formula C34H42O22 ChemAxon inchi InChI=1S/C34H42O22/c1-49-14-4-10(2-3-12(14)38)29-30(23(43)19-13(39)5-11(6-15(19)51-29)50-32-27(47)24(44)20(40)16(7-35)52-32)55-34-31(26(46)22(42)18(9-37)54-34)56-33-28(48)25(45)21(41)17(8-36)53-33/h2-6,16-18,20-22,24-28,31-42,44-48H,7-9H2,1H3 ChemAxon inchikey GFXVHGLRIICEQY-UHFFFAOYSA-N ChemAxon polar_surface_area 353.9 ChemAxon refractivity 178.32 ChemAxon polarizability 75.83 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 22 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 788207 Specdb::CMs 788208 Specdb::CMs 788209 Specdb::CMs 788210 Specdb::CMs 788211 Specdb::CMs 788212 Specdb::CMs 788213 Specdb::CMs 788214 Specdb::CMs 788215 Specdb::CMs 788216 Specdb::CMs 788217 Specdb::CMs 788218 Specdb::CMs 788219 Specdb::MsMs 47466 Specdb::MsMs 47467 Specdb::MsMs 47468 Specdb::MsMs 154893 Specdb::MsMs 154894 Specdb::MsMs 154895 Specdb::MsMs 2738839 Specdb::MsMs 2738840 Specdb::MsMs 2738841 Specdb::MsMs 2969561 Specdb::MsMs 2969562 Specdb::MsMs 2969563 Specdb::NmrOneD 109658 Specdb::NmrOneD 109659 Specdb::NmrOneD 109660 Specdb::NmrOneD 109661 Specdb::NmrOneD 109662 Specdb::NmrOneD 109663 Specdb::NmrOneD 109664 Specdb::NmrOneD 109665 Specdb::NmrOneD 109666 Specdb::NmrOneD 109667 Specdb::NmrOneD 109668 Specdb::NmrOneD 109669 Specdb::NmrOneD 109670 Specdb::NmrOneD 109671 Specdb::NmrOneD 109672 Specdb::NmrOneD 109673 Specdb::NmrOneD 109674 Specdb::NmrOneD 109675 Specdb::NmrOneD 109676 Specdb::NmrOneD 109677 HMDB29480 #<Reference:0x000055ce3073a948> Spinach Type 1 specific Spinacia oleracea 3562 Swede Type 1 specific Brassica napus 3708