(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[(2R)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4-diol
PubChem CID: 162914876
Connections displayed (default: 10).
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| Topological Polar Surface Area | 199.0 |
|---|---|
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 425.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | (2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[(2R)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4-diol |
| Prediction Hob | 0.0 |
| Xlogp | -4.9 |
| Molecular Formula | C14H26O12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ILFYXIFDFPMSPU-FCPQXWLQSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.73 |
| Rotatable Bond Count | 8.0 |
| Logd | -3.265 |
| Compound Name | (2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[(2R)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 386.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.142 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 386.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.3670299999999997 |
| Inchi | InChI=1S/C14H26O12/c15-1-5(18)4-23-13-11(22)9(20)12(7(3-17)25-13)26-14-10(21)8(19)6(2-16)24-14/h5-22H,1-4H2/t5-,6+,7-,8+,9-,10-,11-,12-,13-,14+/m1/s1 |
| Smiles | C([C@H]1[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H](CO)O)CO)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients