Juniperoside
PubChem CID: 15690607
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| Compound Synonyms | Juniperoside, 135743-09-8, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoxy]oxane-3,4,5-triol, (E)-3,4,5-Trimethoxycinnamyl beta-D-glucopyranoside |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 446.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoxy]oxane-3,4,5-triol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Is Pains | False |
| Molecular Formula | C18H26O9 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SGVIOKXMBPTKTD-BJKOHBGFSA-N |
| Fcsp3 | 0.5555555555555556 |
| Rotatable Bond Count | 8.0 |
| Compound Name | Juniperoside |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 386.158 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 386.158 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 386.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.872105844444445 |
| Inchi | InChI=1S/C18H26O9/c1-23-11-7-10(8-12(24-2)17(11)25-3)5-4-6-26-18-16(22)15(21)14(20)13(9-19)27-18/h4-5,7-8,13-16,18-22H,6,9H2,1-3H3/b5-4+/t13-,14-,15+,16-,18-/m1/s1 |
| Smiles | COC1=CC(=CC(=C1OC)OC)/C=C/CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juniperus Occidentalis (Plant) Rel Props:Source_db:cmaup_ingredients