1.0 2010-04-08 22:12:25 UTC 2019-11-26 03:13:12 UTC FDB016410 Isorhamnetin 3,4'-diglucoside Isolated from Zea mays (sweet corn) and other plants. Isorhamnetin 3,4'-diglucoside is found in many foods, some of which are garden onion, cereals and cereal products, grape, and corn. Astragalegoside Dactilin Dactylin Isorhamnetin 3,4'-di-O-b-D-glucopyranoside Isorhamnetin 3,4'-di-O-glucoside Isorhamnetin 3,4'-diglucoside C28H32O17 640.5435 640.163949598 5,7-dihydroxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 5,7-dihydroxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 28288-98-4 COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1 InChI=1S/C28H32O17/c1-40-13-4-9(2-3-12(13)42-27-23(38)21(36)18(33)15(7-29)43-27)25-26(20(35)17-11(32)5-10(31)6-14(17)41-25)45-28-24(39)22(37)19(34)16(8-30)44-28/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3 VKVBSQRURLRCHO-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'-O-methylated flavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Monosaccharides 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 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.63 ALOGPS logs -2.30 ALOGPS solubility 3.23e+00 g/l ALOGPS melting_point Mp 187-189° logp -2.3 ChemAxon pka_strongest_acidic 6.44 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5,7-dihydroxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 640.5435 ChemAxon mono_mass 640.163949598 ChemAxon smiles COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1 ChemAxon formula C28H32O17 ChemAxon inchi InChI=1S/C28H32O17/c1-40-13-4-9(2-3-12(13)42-27-23(38)21(36)18(33)15(7-29)43-27)25-26(20(35)17-11(32)5-10(31)6-14(17)41-25)45-28-24(39)22(37)19(34)16(8-30)44-28/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3 ChemAxon inchikey VKVBSQRURLRCHO-UHFFFAOYSA-N ChemAxon polar_surface_area 274.75 ChemAxon refractivity 145.9 ChemAxon polarizability 61.31 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 17 ChemAxon donor_count 10 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 140370 Specdb::NmrOneD 140371 Specdb::NmrOneD 140372 Specdb::NmrOneD 140373 Specdb::NmrOneD 140374 Specdb::NmrOneD 140375 Specdb::NmrOneD 140376 Specdb::NmrOneD 140377 Specdb::NmrOneD 140378 Specdb::NmrOneD 140379 Specdb::NmrOneD 140380 Specdb::NmrOneD 140381 Specdb::NmrOneD 140382 Specdb::NmrOneD 140383 Specdb::NmrOneD 140384 Specdb::NmrOneD 140385 Specdb::NmrOneD 140386 Specdb::NmrOneD 140387 Specdb::NmrOneD 140388 Specdb::NmrOneD 140389 Specdb::CMs 24648 Specdb::CMs 612261 Specdb::CMs 612262 Specdb::CMs 612263 Specdb::CMs 612264 Specdb::CMs 612265 Specdb::CMs 612266 Specdb::CMs 612267 Specdb::CMs 612268 Specdb::CMs 612269 Specdb::CMs 612270 Specdb::CMs 612271 Specdb::CMs 612272 Specdb::CMs 612273 Specdb::CMs 612274 Specdb::CMs 612275 Specdb::CMs 612276 Specdb::CMs 612277 Specdb::CMs 612278 Specdb::CMs 612279 Specdb::CMs 612280 Specdb::CMs 612281 Specdb::CMs 612282 Specdb::CMs 612283 Specdb::CMs 612284 Specdb::MsMs 106725 Specdb::MsMs 106726 Specdb::MsMs 106727 Specdb::MsMs 173544 Specdb::MsMs 173545 Specdb::MsMs 173546 Specdb::MsMs 2226747 Specdb::MsMs 2227999 Specdb::MsMs 2230370 Specdb::MsMs 2231388 Specdb::MsMs 2232063 Specdb::MsMs 2232837 Specdb::MsMs 2233799 Specdb::MsMs 2234445 Specdb::MsMs 2234470 Specdb::MsMs 2235123 Specdb::MsMs 2258734 Specdb::MsMs 2259860 Specdb::MsMs 2363108 Specdb::MsMs 2363109 Specdb::MsMs 2363110 Specdb::MsMs 2602862 Specdb::MsMs 2602863 Specdb::MsMs 2602864 HMDB37374 #<Reference:0x000055ce33520948> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Corn Type 1 specific Zea mays 4577 Fats and oils Unknown generic Garden onion Type 1 specific Allium cepa 4679 Grape Type 1 specific Vitis 3603