Rha(a1-4)a-Rha1Me
PubChem CID: 5319595
Connections displayed (default: 10).
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| Topological Polar Surface Area | 138.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 367.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | -2.6 |
| Molecular Formula | C13H24O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZIWJTDXGUWDLMS-PPEYGNTFSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.767 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.607 |
| Compound Name | Rha(a1-4)a-Rha1Me |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.142 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 324.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.016678799999999383 |
| Inchi | InChI=1S/C13H24O9/c1-4-6(14)7(15)9(17)13(20-4)22-11-5(2)21-12(19-3)10(18)8(11)16/h4-18H,1-3H3/t4-,5-,6-,7+,8-,9+,10+,11-,12+,13-/m0/s1 |
| Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](O[C@H]([C@@H]([C@@H]2O)O)OC)C)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients