(2S,3R,4S,5R,6R)-2-[(2S,3S,5R,6S)-6-[(2R,3R,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyl-2-propoxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol
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![(2S,3R,4S,5R,6R)-2-[(2S,3S,5R,6S)-6-[(2R,3R,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyl-2-propoxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1a4f70911a7047f89dea22a77444d403.png "(2S,3R,4S,5R,6R)-2-[(2S,3S,5R,6S)-6-[(2R,3R,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyl-2-propoxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol")
(2S,3R,4S,5R,6R)-2-[(2S,3S,5R,6S)-6-[(2R,3R,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyl-2-propoxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol
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CAS No:
102717-63-5
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Formula:
C26H48O14
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Chemical Name:
(2S,3R,4S,5R,6R)-2-[(2S,3S,5R,6S)-6-[(2R,3R,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyl-2-propoxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol
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Synonyms:
PGRR;
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CAS No:
(2S,3R,4S,5R,6R)-2-[(2S,3S,5R,6S)-6-[(2R,3R,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyl-2-propoxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol Basic Attributes
584.65100
584.30440620 g/mol
Computed Properties
Molecular Weight:584.7
XLogP3:-1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:13
Exact Mass:584.30440620
Monoisotopic Mass:584.30440620
Topological Polar Surface Area:162
Heavy Atom Count:40
Complexity:732
Defined Atom Stereocenter Count:14
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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