Rha(a1-6)L-Glc(b)-O-Mob
PubChem CID: 163019220
Connections displayed (default: 10).
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| Topological Polar Surface Area | 168.0 |
|---|---|
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 543.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | (2S,3R,4R,5R,6R)-2-methyl-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -2.2 |
| Molecular Formula | C20H30O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RHAUKLKHALHJDY-MKTDUQEUSA-N |
| Fcsp3 | 0.7 |
| Logs | -2.162 |
| Rotatable Bond Count | 7.0 |
| Logd | -1.015 |
| Compound Name | Rha(a1-6)L-Glc(b)-O-Mob |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 446.179 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 446.179 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 446.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8843096064516135 |
| Inchi | InChI=1S/C20H30O11/c1-9-13(21)15(23)17(25)19(30-9)29-8-12-14(22)16(24)18(26)20(31-12)28-7-10-3-5-11(27-2)6-4-10/h3-6,9,12-26H,7-8H2,1-2H3/t9-,12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1 |
| Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)OCC3=CC=C(C=C3)OC)O)O)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pedicularis Muscicola (Plant) Rel Props:Source_db:cmaup_ingredients