1-o-Galloyl-alpha-l-rhamnose
PubChem CID: 87857624
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| Compound Synonyms | 1-o-galloyl-alpha-l-rhamnose, SCHEMBL5576004 |
|---|---|
| Topological Polar Surface Area | 157.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 391.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] 3,4,5-trihydroxybenzoate |
| Prediction Hob | 0.0 |
| Xlogp | -0.9 |
| Molecular Formula | C13H16O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MQMJAAMHVGEVTB-FWMKHJMESA-N |
| Fcsp3 | 0.4615384615384615 |
| Logs | -1.249 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.234 |
| Compound Name | 1-o-Galloyl-alpha-l-rhamnose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.079 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 316.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2250425818181818 |
| Inchi | InChI=1S/C13H16O9/c1-4-8(16)10(18)11(19)13(21-4)22-12(20)5-2-6(14)9(17)7(15)3-5/h2-4,8,10-11,13-19H,1H3/t4-,8-,10+,11+,13-/m0/s1 |
| Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acer Rubrum (Plant) Rel Props:Source_db:cmaup_ingredients