(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-2,3,5-trihydroxyoxan-4-yl]oxyoxane-3,4,5-triol
PubChem CID: 162997944
Connections displayed (default: 10).
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| Topological Polar Surface Area | 169.0 |
|---|---|
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 341.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-2,3,5-trihydroxyoxan-4-yl]oxyoxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -4.1 |
| Molecular Formula | C11H20O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XSXQXHMPBBNYRD-BPMYFNIRSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.479 |
| Rotatable Bond Count | 3.0 |
| Logd | -2.802 |
| Compound Name | (2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-2,3,5-trihydroxyoxan-4-yl]oxyoxane-3,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.106 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 312.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.0175198000000003 |
| Inchi | InChI=1S/C11H20O10/c12-1-4-5(14)6(15)7(16)11(20-4)21-9-3(13)2-19-10(18)8(9)17/h3-18H,1-2H2/t3-,4-,5-,6+,7+,8-,9+,10+,11+/m0/s1 |
| Smiles | C1[C@@H]([C@H]([C@@H]([C@@H](O1)O)O)O[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Globularia Davisiana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Trichosanthes Rosthornii (Plant) Rel Props:Source_db:cmaup_ingredients