4-O-Methylgalactinol
PubChem CID: 10713243
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| Compound Synonyms | 4-O-Methylgalactinol, 3-O-a-D-Galactopyranosylononitol, 75589-40-1, 3-O-a-D-Galactopyranosyl-4-O-methyl-D-myo-inositol, D-galactosylononitol, galactosyl sequoyitol, (1S,2S,3S,4R,5S,6S)-5-methoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol, 3-(alpha-D-galactosyl)ononitol, CHEBI:133412, DTXSID201226732, 3-O-I+/--D-Galactopyranosyl-4-O-methyl-D-myo-inositol, alpha-D-galactosyl-(1->3)-4-O-methyl-1D-myo-inositol, alpha-D-galactopyranosyl-(1->3)-4-O-methyl-1D-myo-inositol, O-alpha-D-galactopyranosyl-(1->3)-4-O-methyl-D-myo-inositol, (1S,2S,3S,4S,5R,6S)-2,3,4,5-tetrahydroxy-6-methoxycyclohexyl alpha-D-galactopyranoside, (1S,2S,3S,4R,5S,6S)-5-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4-tetrol |
|---|---|
| Topological Polar Surface Area | 190.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 24.0 |
| Description | Constituent of the seeds of azuki bean (Vigna angularis). 4-O-Methylgalactinol is found in pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 409.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 11.0 |
| Iupac Name | (1S,2S,3S,4R,5S,6S)-5-methoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol |
| Prediction Hob | 0.0 |
| Class | Organooxygen compounds |
| Xlogp | -4.8 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C13H24O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RSYNCMYDVZFZBP-KEUHYNFLSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.207 |
| Rotatable Bond Count | 4.0 |
| Logd | -2.69 |
| Synonyms | 3-O-a-D-Galactopyranosyl-4-O-methyl-D-myo-inositol, 3-O-a-D-Galactopyranosylononitol, 4-O-Methylgalactinol, alpha-D-Galactopyranosyl-(1->3)-4-O-methyl-1D-myo-inositol, alpha-D-Galactosyl-(1->3)-4-O-methyl-1D-myo-inositol, D-Galactosylononitol, Galactosyl sequoyitol, O-alpha-D-Galactopyranosyl-(1->3)-4-O-methyl-D-myo-inositol, a-D-Galactopyranosyl-(1->3)-4-O-methyl-1D-myo-inositol, Α-D-galactopyranosyl-(1->3)-4-O-methyl-1D-myo-inositol, a-D-Galactosyl-(1->3)-4-O-methyl-1D-myo-inositol, Α-D-galactosyl-(1->3)-4-O-methyl-1D-myo-inositol, O-a-D-Galactopyranosyl-(1->3)-4-O-methyl-D-myo-inositol, O-Α-D-galactopyranosyl-(1->3)-4-O-methyl-D-myo-inositol, 3-(a-D-Galactosyl)ononitol, 3-(Α-D-galactosyl)ononitol |
| Compound Name | 4-O-Methylgalactinol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 356.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.132 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 356.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | 1.4592912000000007 |
| Inchi | InChI=1S/C13H24O11/c1-22-11-8(19)6(17)7(18)9(20)12(11)24-13-10(21)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3/t3-,4+,5+,6+,7+,8-,9+,10-,11+,12+,13-/m1/s1 |
| Smiles | CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H]([C@@H]1O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | O-glycosyl compounds |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all