Cyanidin 3-galactoside
PubChem CID: 176457
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| Compound Synonyms | 27661-36-5, Idaein chloride, Ideanin, Idein chloride, Ideain, Idein, CYANIDIN-3-GALACTOSIDE CHLORIDE, Cyanidin 3-galactoside chloride, Cyanidin 3-O-galactoside chloride, Cyanidin-3-O-galactoside chloride, Idaein, UNII-FC7L938Y12, FC7L938Y12, cyanidin-3-o-galactoside, Cyanidin chloride 3-galactoside [MI], Cyanidin 3-O-beta-galactopyranoside chloride, 3-(Galactosyloxy)-3',4',5,7-tetrahydroxyflavylium chloride, CHEBI:37664, Cyanidin 3-O-beta-D-Galactopyranoside Chloride, Cyanidin-3-O-galactoside (chloride), (2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, chloride, 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-, chloride (1:1), 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride, cyanidin 3-O-beta-D-galactoside chloride, Cyanidin 3-O-b-D-Galactopyranoside Chloride, 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-(beta-d-galactopyranosyloxy)-5,7-dihydroxy-, chloride, MFCD00270387, 3-(beta-D-galactopyranosyloxy)-3',4',5,7-tetrahydroxyflavylium chloride, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl beta-D-galactopyranoside chloride, Cy3-gal, cyanidin 3-O-, A-D-galactoside chloride, Idaein chloride, HPLC Grade, Cyanidin galactoside, Cyanindin-3-Gal, Idaein, Ideain, Ideanin, SCHEMBL316825, CHEMBL591992, Cyanidin chloride 3-galactoside, HY-N4142R, HY-N4142, Idaein chloride, >=90% (HPLC), AKOS025311473, 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-(ss-D-galactopyranosyloxy)-5,7-dihydroxy-, chloride (1:1), AC-34781, AS-78164, FC137844, 1ST157003, CS-0032217, Cyanidin-3-O-galactoside (chloride) (Standard), Cyanidin 3-O- beta -D-Galactopyranoside Chloride, Idaein chloride, Cyanidin-3-O-galactoside chloride, CYANIDIN 3-O-.BETA.-GALACTOPYRANOSIDE CHLORIDE, CYANIDIN 3-O-.BETA.-D-GALACTOPYRANOSIDE CHLORIDE, 1-BENZOPYRYLIUM, 2-(3,4-DIHYDROXYPHENYL)-3-(.BETA.-D-GALACTOPYRANOSYLOXY)-5,7-DIHYDROXY-, CHLORIDE, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)chromenylium chloride |
|---|---|
| Topological Polar Surface Area | 181.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 623.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, chloride |
| Prediction Hob | 0.0 |
| Molecular Formula | C21H21ClO11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YTMNONATNXDQJF-QSLGVYCOSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -2.824 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.35 |
| Compound Name | Cyanidin 3-galactoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 484.077 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 484.077 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 484.8 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3045020787878787 |
| Inchi | InChI=1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8, /h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26), 1H/t16-,17+,18+,19-,21-, /m1./s1 |
| Smiles | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O.[Cl-] |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cichorium Glandulosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cichorium Intybus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all