3-(β-D-Glucopyranosyloxy)-2-hydroxybenzoic acid 3-(1,3-dihydro-3-oxoisobenzofuran-1-yl)propyl ester
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3-(β-D-Glucopyranosyloxy)-2-hydroxybenzoic acid 3-(1,3-dihydro-3-oxoisobenzofuran-1-yl)propyl ester
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CAS No:
94617-34-2
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Formula:
C24H26O11
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Chemical Name:
3-(β-D-Glucopyranosyloxy)-2-hydroxybenzoic acid 3-(1,3-dihydro-3-oxoisobenzofuran-1-yl)propyl ester
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Synonyms:
Pedicelloside
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CAS No:
3-(β-D-Glucopyranosyloxy)-2-hydroxybenzoic acid 3-(1,3-dihydro-3-oxoisobenzofuran-1-yl)propyl ester Basic Attributes
490.45664
490.148
Computed Properties
Molecular Weight:490.5
XLogP3:1.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:9
Exact Mass:490.14751164
Monoisotopic Mass:490.14751164
Topological Polar Surface Area:172
Heavy Atom Count:35
Complexity:732
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-(β-D-Glucopyranosyloxy)-2-hydroxybenzoic acid 3-(1,3-dihydro-3-oxoisobenzofuran-1-yl)propyl ester
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