Gal3Me(b1-4)b-Rha
PubChem CID: 162872741
Connections displayed (default: 10).
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| Topological Polar Surface Area | 158.0 |
|---|---|
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 382.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | (2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-methyloxane-2,3,4-triol |
| Prediction Hob | 0.0 |
| Xlogp | -3.1 |
| Molecular Formula | C13H24O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JQEWQAKSJAAKTD-QEBFPXNKSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.245 |
| Rotatable Bond Count | 4.0 |
| Logd | -1.826 |
| Compound Name | Gal3Me(b1-4)b-Rha |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 340.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.137 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 340.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.2984849999999992 |
| Inchi | InChI=1S/C13H24O10/c1-4-10(7(16)8(17)12(19)21-4)23-13-9(18)11(20-2)6(15)5(3-14)22-13/h4-19H,3H2,1-2H3/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)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adonis Mongolica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eupatorium Altissimum (Plant) Rel Props:Source_db:cmaup_ingredients