1.0 2010-04-08 22:12:27 UTC 2025-11-19 01:47:14 UTC FDB016465 Molludistin 2''-rhamnoside Isolated from Gnetum africanum and Avena sativa (oats). Molludistin 2''-rhamnoside is found in oat, cereals and cereal products, and green vegetables. 7-Methylmollupentin 2''-O-a-L-rhamnopyranoside Molludistin 2''-O-a-L-rhamnopyranoside Molludistin 2''-O-rhamnoside Molludistin 2''-rhamnoside C27H30O13 562.5193 562.168641046 8-{4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one 8-{4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one 66274-23-5 COC1=CC(O)=C2C(=O)C=C(OC2=C1C1OCC(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C1=CC=C(O)C=C1 InChI=1S/C27H30O13/c1-10-20(32)22(34)23(35)27(38-10)40-26-21(33)15(31)9-37-25(26)19-17(36-2)8-14(30)18-13(29)7-16(39-24(18)19)11-3-5-12(28)6-4-11/h3-8,10,15,20-23,25-28,30-35H,9H2,1-2H3 JNFIIHAPWGTZJC-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. Flavonoid 8-C-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-O-methylated flavonoids Acetals Alkyl aryl ethers Anisoles Benzene and substituted derivatives Chromones Dialkyl ethers Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives 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 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-methoxyflavonoid-skeleton Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Dialkyl ether Disaccharide Ether Flavone Flavonoid-8-c-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety 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 0.24 ALOGPS logs -2.59 ALOGPS solubility 1.43e+00 g/l ALOGPS logp 0.0017 ChemAxon pka_strongest_acidic 8.3 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 8-{4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one ChemAxon average_mass 562.5193 ChemAxon mono_mass 562.168641046 ChemAxon smiles COC1=CC(O)=C2C(=O)C=C(OC2=C1C1OCC(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C1=CC=C(O)C=C1 ChemAxon formula C27H30O13 ChemAxon inchi InChI=1S/C27H30O13/c1-10-20(32)22(34)23(35)27(38-10)40-26-21(33)15(31)9-37-25(26)19-17(36-2)8-14(30)18-13(29)7-16(39-24(18)19)11-3-5-12(28)6-4-11/h3-8,10,15,20-23,25-28,30-35H,9H2,1-2H3 ChemAxon inchikey JNFIIHAPWGTZJC-UHFFFAOYSA-N ChemAxon polar_surface_area 204.83 ChemAxon refractivity 135.42 ChemAxon polarizability 55.17 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 108621 Specdb::MsMs 108622 Specdb::MsMs 108623 Specdb::MsMs 175887 Specdb::MsMs 175888 Specdb::MsMs 175889 Specdb::MsMs 2736806 Specdb::MsMs 2736807 Specdb::MsMs 2736808 Specdb::MsMs 2969457 Specdb::MsMs 2969458 Specdb::CMs 25433 Specdb::CMs 45375 Specdb::CMs 282018 Specdb::CMs 348330 Specdb::CMs 348331 Specdb::CMs 348332 Specdb::CMs 348333 Specdb::CMs 348334 Specdb::CMs 348335 Specdb::CMs 348336 Specdb::CMs 348337 Specdb::CMs 348338 Specdb::CMs 348339 Specdb::CMs 348340 Specdb::CMs 348341 Specdb::CMs 348342 Specdb::CMs 348343 Specdb::CMs 348344 Specdb::CMs 348345 Specdb::CMs 348346 Specdb::CMs 348347 Specdb::CMs 348348 Specdb::CMs 348349 Specdb::CMs 348350 Specdb::CMs 348351 HMDB37418 #<Reference:0x000055ce327a7898> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Green vegetables Unknown generic Oat Type 1 specific Avena sativa 4498