2-[(1R)-2-Hydroxy-1-[(4-hydroxy-3-methoxyphenyl)methyl]ethyl]-4-[(1E)-3-hydroxy-1-propen-1-yl]-6-methoxyphenyl β-D-glucopyranoside
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2-[(1R)-2-Hydroxy-1-[(4-hydroxy-3-methoxyphenyl)methyl]ethyl]-4-[(1E)-3-hydroxy-1-propen-1-yl]-6-methoxyphenyl β-D-glucopyranoside
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CAS No:
126176-79-2
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Formula:
C26H34O11
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Chemical Name:
2-[(1R)-2-Hydroxy-1-[(4-hydroxy-3-methoxyphenyl)methyl]ethyl]-4-[(1E)-3-hydroxy-1-propen-1-yl]-6-methoxyphenyl β-D-glucopyranoside
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Synonyms:
β-D-Glucopyranoside,2-[(1R)-2-hydroxy-1-[(4-hydroxy-3-methoxyphenyl)methyl]ethyl]-4-[(1E)-3-hydroxy-1-propen-1-yl]-6-methoxyphenyl;β-D-Glucopyranoside,2-[2-hydroxy-1-[(4-hydroxy-3-methoxyphenyl)methyl]ethyl]-4-(3-hydroxy-1-propenyl)-6-methoxyphenyl,(E)-;β-D-Glucopyranoside,2-[(1R)-2-hydroxy-1-[(4-hydroxy-3-methoxyphenyl)methyl]ethyl]-4-[(1E)-3-hydroxy-1-propenyl]-6-methoxyphenyl;2-[(1R)-2-Hydroxy-1-[(4-hydroxy-3-methoxyphenyl)methyl]ethyl]-4-[(1E)-3-hydroxy-1-propen-1-yl]-6-methoxyphenyl β-D-glucopyranoside;Icariside E5
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CAS No:
2-[(1R)-2-Hydroxy-1-[(4-hydroxy-3-methoxyphenyl)methyl]ethyl]-4-[(1E)-3-hydroxy-1-propen-1-yl]-6-methoxyphenyl β-D-glucopyranoside Basic Attributes
522.547
522.54
Characteristics
178.53000
-1.42
1.413±0.06 g/cm3(Predicted)
807.6±65.0 °C(Predicted)
442.2±34.3 °C
1.650
Computed Properties
Molecular Weight:522.5
XLogP3:0.4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:11
Exact Mass:522.21011190
Monoisotopic Mass:522.21011190
Topological Polar Surface Area:179
Heavy Atom Count:37
Complexity:693
Defined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-[(1R)-2-Hydroxy-1-[(4-hydroxy-3-methoxyphenyl)methyl]ethyl]-4-[(1E)-3-hydroxy-1-propen-1-yl]-6-methoxyphenyl β-D-glucopyranoside
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