D-myo-Inositol, 1-O-alpha-D-galactopyranosyl-
PubChem CID: 439451
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| Compound Synonyms | isogalactinol, Galactinol (hydrate), D-myo-Inositol, 1-O-alpha-D-galactopyranosyl-, C01235, SCHEMBL1977920, SCHEMBL7127589, AKOS040759325, HY-W749884, myo-inositol-1-alpha-D-galactopyranoside, DA-53471, TS-09783, inositol, 1-O-alpha-D-galactopyranosyl-, myo-, O-alpha-D-galactopyranosyl-(1->1)-myo-inositol, D-myo-Inositol, 1-O-.alpha.-D-galactopyranosyl-, (1R,2R,3S,4S,5R,6S)-6-(((2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)cyclohexane-1,2,3,4,5-pentaol, (1R,2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol |
|---|---|
| Topological Polar Surface Area | 201.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (1R,2R,4S,5R)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol |
| Prediction Hob | 0.0 |
| Xlogp | -5.3 |
| Molecular Formula | C12H22O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VCWMRQDBPZKXKG-SPBUTQSFSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.1 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.628 |
| Compound Name | D-myo-Inositol, 1-O-alpha-D-galactopyranosyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.116 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.8204586000000003 |
| Inchi | InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3+,4+,5?,6-,7+,8-,9-,10-,11?,12-/m1/s1 |
| Smiles | C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@H](C([C@H]([C@H]2O)O)O)O)O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients