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 |
| Brenk Violation | True |
| 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 |
| Nih Violation | True |
| 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-] |
| Is Pains | False |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C23H25ClO12 |
- 1. Outgoing r'ship
FOUND_INto/from Vaccinium Corymbosum (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Vaccinium Myrtillus (Plant) Rel Props:Source_db:npass_chem_all