2-amino-4-oxo-4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]butanoic acid
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![2-amino-4-oxo-4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1dc9624af6a0495bbce5c36a05040ae1.png "2-amino-4-oxo-4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]butanoic acid")
2-amino-4-oxo-4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]butanoic acid
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CAS No:
77437-53-7
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Formula:
C22H38N2O18
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Chemical Name:
2-amino-4-oxo-4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]butanoic acid
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Synonyms:
alpha-Glc-(1-6)-beta-Glc-(1-6)-alpha-Glc-(1-Asn);glucosyl-glucosyl-glucosyl-asparagine;glycotriosyl asperagine;TriGlc-Asn;triglucosyl-asparagineL-Asparagine, N2-(O-alpha-D-glucopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->6)-alpha-D-glucopyranosyl)-;Glycotriosyl asperagine;Triglc-asn;Glucosyl-glucosyl-glucosyl-asparagine;alpha-Glc-(1-6)-beta-glc-(1-6)-alpha-glc-(1-asn);77437-53-7;Triglucosyl-asparaginel-asparagine, N2-(O-alpha-D-glucopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->6)-alpha-D-glucopyranosyl)-;L-Asparagine, N-(O-alpha-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranosyl)-
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CAS No:
2-amino-4-oxo-4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]butanoic acid Basic Attributes
618.5 g/mol
618.21196237 g/mol
Computed Properties
Molecular Weight:618.5
XLogP3:-10
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:11
Exact Mass:618.21196237
Monoisotopic Mass:618.21196237
Topological Polar Surface Area:341
Heavy Atom Count:42
Complexity:901
Undefined Atom Stereocenter Count:16
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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