Ikarisoside C
Basic information
- CAS
113558-11-5- Standard SMILES
CC(C)=CCc1c(O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc12- InChIKey
ZOIXTVDCTOAUDQ-VYNCXLEOSA-N- Molecular formula
- C39H50O19
- Average molar mass
- 822.8 g/mol
- Monoisotopic mass
- 822.29462936
Overview
ikarisoside C has been reported in Epimedium sempervirens and Epimedium diphyllum with data available.
Names & identifiers
- Preferred name
- Ikarisoside C
- IUPAC
- 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one
- English name
- 4H-1-Benzopyran-4-one, 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-bute-1-nyl)-
- Molecular formula
- C38H48O20
- Molecular weight
- 824.78
Names & synonyms
DTXSID901349664RefChem:147753DTXCID601778692113558-11-53-((2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-oneIkarisoside C3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexoxy]chromen-4-one7-[(3S,1R,2R,4R,5R)-2,3,4-Trihydroxy-5-(hydroxymethyl)cyclohexyloxy]-3-{3-[(4S,5S,3R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)perhydropyran-2-yloxy](2S,6S,3R,4R,5R)-4,5-dihydroxy-6-methylperhydropyran-2-yloxy}-8-((2Z)-3-methylbut-2-enyl)-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 315 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 11
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,450
Physicochemical properties
- Melting point
- 197 · 197-199 °C
- Boiling point
- 1121.8 · 1121.8±65.0 °C(Predicted)
- Density
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- pka
- 5.91 · 5.91±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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