[(2S,3R,4S,5R)-4,5-Dihydroxy-2-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-2-[[(3R,9S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl] acetate
Basic information
- CAS
84676-89-1- Standard SMILES
CC(=O)O[C@H]1[C@H](O[C@]2(O)[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3CC4C5(CC[C@]6(C)[C@@H]([C@@]7(C)CC[C@@H](C(C)(C)O)O7)[C@@H](O)C[C@@]46C)C[C@@]54CCCC(C)(C)C34)[C@@H]2O)OC[C@@H](O)[C@@H]1O- InChIKey
LFJNPJBIDAQEHH-BXPIHXSGSA-N- Molecular formula
- C43H70O15
- Average molar mass
- 827 g/mol
- Monoisotopic mass
- 826.47147152
Names & identifiers
- Preferred name
- [(2S,3R,4S,5R)-4,5-Dihydroxy-2-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-2-[[(3R,9S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl] acetate
- IUPAC
- [(2S,3R,4S,5R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-2-[[(3R,9S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl] acetate
- English name
- Astragaloside II
- Molecular formula
- C43H70O15
- Molecular weight
- 827.02
Names & synonyms
UNII-0K5J34DHEN[(2S,3R,4S,5R)-4,5-Dihydroxy-2-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-2-[[(3R,9S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl] acetateAstragaloside BAstragaloside-ⅡAstragaloside ⅡASTRAGALOSIDE IICyclosiversioside DAstragaloside II-RMCyclosieversioside DASTRAGALOSIDE II(SH)Astragaloside II,98%AstrasieversianinVIII
Database identifiers
- CAS
84676-89-1- PubChem CID
- 158692
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 234 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,590
Physicochemical properties
- Melting point
- 251 · 251~253℃
- Boiling point
- 897.4 · 897.4±65.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- Methanol (Very Slightly), Pyridine (Slightly)
- form
- Solid
- pka
- 12.9 · 12.90±0.70(Predicted)
- color
- White to Off-White
- Major Application
- food and beverages
- InChIKey
- AYWNHWGQTMCQIV-PENCHUSISA-N
- FDA UNII
- 0 K5J34DHEN · 0K5J34DHEN
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- HS Code
- 29389090 · 29389090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 29389090
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesAstragaloside II has cardioprotective effects as well as causing improvement in cognitive function. Used in the prevention of cardio-cerebral vascular diseases.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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