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Malvidin 3-galactoside

PubChem CID: 94409

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Compound Synonyms 30113-37-2, Malvidin 3-galactoside, Malvidin-3-galactoside chloride, Malvidin-3-O-galactoside chloride, Primulin, Malvidin-3-O-galactoside, 5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride, UNII-MB4022065G, EINECS 250-055-1, MALVIDIN GALACTOSIDE, MB4022065G, NSC 270760, Arthanitin, Malvidin-3-galactoside (chloride), NSC-270760, Malvidin 3-O-Galactoside, MALVIDIN 3-O-.BETA.-D-GALACTOPYRANOSIDE, (2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, chloride, 1-BENZOPYRYLIUM, 3-(.BETA.-D-GALACTOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-, CHLORIDE (1:1), Malvidin 3-O-beta-D-galactopyranoside, 3-(Galactosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium chloride, SCHEMBL723403, DTXSID90952524, CHEBI:180741, HY-N6623, AKOS027383182, FS-7469, MM65371, CS-0034411, NS00127324, Malvidin 3-galactoside, chloride, (D)-isomer, G91295, A820203, Q137253, Malvidin-3-galactoside chloride, analytical standard, 1-BENZOPYRYLIUM, 3-(BETA-D-GALACTOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-, CHLORIDE (1:1), 2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol chloride, 250-055-1, 5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-chromeniumyl beta-D-galactopyranoside chloride
Topological Polar Surface Area 180.0
Hydrogen Bond Donor Count 7.0
Inchi Key YDIKCZBMBPOGFT-PWUSVEHZSA-N
Rotatable Bond Count 6.0
Heavy Atom Count 36.0
Compound Name Malvidin 3-galactoside
Exact Mass 528.103
Formal Charge 0.0
Monoisotopic Mass 528.103
Isotope Atom Count 0.0
Molecular Complexity 669.0
Hydrogen Bond Acceptor Count 12.0
Molecular Weight 528.9
Database Name npass_chem_all;pubchem
Covalent Unit Count 2.0
Defined Atom Stereocenter Count 5.0
Iupac Name (2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, chloride
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Inchi InChI=1S/C23H24O12.ClH/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23, /h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27), 1H/t17-,19+,20+,21-,23-, /m1./s1
Smiles COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O.[Cl-]
Defined Bond Stereocenter Count 0.0
Molecular Formula C23H25ClO12

  • 1. Outgoing r'ship FOUND_IN to/from Vaccinium Corymbosum (Plant) Rel Props:Source_db:npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Vaccinium Myrtillus (Plant) Rel Props:Source_db:npass_chem_all
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