Galactopinitol B
PubChem CID: 101926786
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| Compound Synonyms | galactopinitol B, 88199-72-8, 2-O-b-D-Galactopyranoside 3-O-Methyl-D-chiro-inositol, 2-O-b-D-Galactopyranoside 4-O-Methyl-D-chiro-inositol, O-beta-D-Galactopyranosyl-(1->2)-4-O-methyl-chiro-inositol, (1S,2R,3S,4R,5S,6S)-4-methoxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,5-tetrol, (1S,2R,3S,4R,5S,6S)-4-methoxy-6-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxycyclohexane-1,2,3,5-tetrol, CHEBI:169058, WFSVEMFCPALUBB-DVLBVPSGSA-N, DTXSID301316619 |
|---|---|
| Topological Polar Surface Area | 190.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 24.0 |
| Description | Constituent of soya beans. Galactopinitol B is found in soy bean and pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 409.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 11.0 |
| Iupac Name | (1S,2R,3S,4R,5S,6S)-4-methoxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,5-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 | WFSVEMFCPALUBB-DVLBVPSGSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2-O-b-D-galactopyranoside 3-O-Methyl-D-chiro-inositol, 2-O-b-D-galactopyranoside 4-O-Methyl-D-chiro-inositol, Galactopinitol B, O-beta-D-galactopyranosyl-(1->2)-4-O-methyl-chiro-inositol, 2-O-b-D-Galactopyranoside 3-O-methyl-D-chiro-inositol, 2-O-b-D-Galactopyranoside 4-O-methyl-D-chiro-inositol, O-beta-D-Galactopyranosyl-(1->2)-4-O-methyl-chiro-inositol |
| Compound Name | Galactopinitol B |
| 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/c1-22-11-7(18)6(17)8(19)12(10(11)21)24-13-9(20)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)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O |
| 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;fooddb_chem_all