1.0 2010-04-08 22:15:12 UTC 2025-11-19 02:33:16 UTC FDB020689 Myricetin 3-robinobioside Constituent of the roots of Syzygium cumini (jambolan). Myricetin 3-robinobioside is found in java plum and fruits. 3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one Myricetin 3-robinobioside C27H30O17 626.5169 626.148299534 5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one 5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)chromen-4-one 145544-43-0 CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C27H30O17/c1-7-16(32)20(36)22(38)26(41-7)40-6-14-18(34)21(37)23(39)27(43-14)44-25-19(35)15-10(29)4-9(28)5-13(15)42-24(25)8-2-11(30)17(33)12(31)3-8/h2-5,7,14,16,18,20-23,26-34,36-39H,6H2,1H3 QCIILLDRJZPUDI-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'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Chromones Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyranones and derivatives Pyrogallols and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzopyran Chromone Disaccharide Flavone Flavonoid-3-o-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 Polyol Pyran Pyranone Pyrogallol derivative Secondary alcohol Vinylogous acid logp 0.23 ALOGPS logs -2.15 ALOGPS solubility 4.45e+00 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 626.5169 ChemAxon mono_mass 626.148299534 ChemAxon smiles CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C27H30O17 ChemAxon inchi InChI=1S/C27H30O17/c1-7-16(32)20(36)22(38)26(41-7)40-6-14-18(34)21(37)23(39)27(43-14)44-25-19(35)15-10(29)4-9(28)5-13(15)42-24(25)8-2-11(30)17(33)12(31)3-8/h2-5,7,14,16,18,20-23,26-34,36-39H,6H2,1H3 ChemAxon inchikey QCIILLDRJZPUDI-UHFFFAOYSA-N ChemAxon polar_surface_area 285.75 ChemAxon refractivity 142.13 ChemAxon polarizability 58.76 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 17 ChemAxon donor_count 11 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 7271 Specdb::MsMs 7272 Specdb::MsMs 7273 Specdb::MsMs 13943 Specdb::MsMs 13944 Specdb::MsMs 13945 Specdb::MsMs 2688491 Specdb::MsMs 2688492 Specdb::MsMs 2688493 Specdb::MsMs 2993042 Specdb::MsMs 2993043 Specdb::MsMs 2993044 Specdb::NmrOneD 43822 Specdb::NmrOneD 43823 Specdb::NmrOneD 43824 Specdb::NmrOneD 43825 Specdb::NmrOneD 43826 Specdb::NmrOneD 43827 Specdb::NmrOneD 43828 Specdb::NmrOneD 43829 Specdb::NmrOneD 43830 Specdb::NmrOneD 43831 Specdb::NmrOneD 43832 Specdb::NmrOneD 43833 Specdb::NmrOneD 43834 Specdb::NmrOneD 43835 Specdb::NmrOneD 43836 Specdb::NmrOneD 43837 Specdb::NmrOneD 43838 Specdb::NmrOneD 43839 Specdb::NmrOneD 43840 Specdb::NmrOneD 43841 Specdb::CMs 23692 Specdb::CMs 46996 Specdb::CMs 569003 Specdb::CMs 569004 Specdb::CMs 569005 Specdb::CMs 569006 Specdb::CMs 569007 Specdb::CMs 569008 Specdb::CMs 569009 Specdb::CMs 569010 Specdb::CMs 569011 Specdb::CMs 569012 Specdb::CMs 569013 Specdb::CMs 569014 Specdb::CMs 569015 Specdb::CMs 569016 Specdb::CMs 569017 Specdb::CMs 569018 Specdb::CMs 569019 Specdb::CMs 569020 Specdb::CMs 569021 Specdb::CMs 569022 Specdb::CMs 569023 Specdb::CMs 569024 Specdb::CMs 569025 HMDB40861 #<Reference:0x000055ce3188af90> Fruits Unknown generic Java plum Type 1 specific Syzygium cumini 260142