Penta-O-galloyl-β-D-glucose
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Penta-O-galloyl-β-D-glucose
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CAS No:
14937-32-7
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Formula:
C41H32O26
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Chemical Name:
Penta-O-galloyl-β-D-glucose
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Synonyms:
β-D-Glucopyranose,1,2,3,4,6-pentakis(3,4,5-trihydroxybenzoate);Glucopyranose,pentagallate,β-D-;β-D-Glucopyranose,pentakis(3,4,5-trihydroxybenzoate);Gallic acid,pentaester with β-D-glucopyranose;1,2,3,4,6-Pentagalloyl-β-D-glucose;Penta-O-galloyl-β-D-glucopyranose;Penta-O-galloyl-β-D-glucose;β-1,2,3,4,6-Pentagalloylglucose;1,2,3,4,6-Pentagalloyl-β-D-glucopyranose;1,2,3,4,6-Penta-O-galloyl-β-D-glucopyranose;1,2,3,4,6-Pentagalloyl-β-D-glucopyranoside;Pentagalloyl-D-glucose;Penta-O-galloylglucose;Gallotannin 15;1,2,3,4,6-Penta-O-galloyl-β-glucopyranose;1,2,3,4,6-Penta-O-galloyl-β-D-glucose;1,2,3,4,6-Penta-O-galloylglucose;1,2,3,4,6-Penta-O-galloyl-β-D-glucopyranoside;1,2,3,4,6-Penta-O-galloyl-β-D-glucoside;G 7548;DB 03208;94008-28-3;98731-29-4;99935-72-5;102694-50-8;131647-34-2;1809258-59-0;2392017-59-1
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CAS No:
Description
Yellow PowderChEBI: A galloyl-beta-D-glucose compound having five galloyl groups in the 1-, 2-, 3-, 4- and 6-positions.
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose is a galloyl-beta-D-glucose compound having five galloyl groups in the 1-, 2-, 3-, 4- and 6-positions. It has a role as a geroprotector, a radiation protective agent, an antineoplastic agent, a radical scavenger, an anti-inflammatory agent, a plant metabolite and a hepatoprotective agent. It is a gallate ester and a galloyl beta-D-glucose. It is a conjugate acid of a 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose(1-).
Characteristics
444
3.6
light brown
2.05±0.1 g/cm3(Predicted)
143 °C
1365.7±65.0 °C(Predicted)
410.4±27.8 °C
1.870
DMSO: ≥20mg/mL
-20°C Freezer, Under Inert Atmosphere
0mmHg at 25°C
Penta-O-galloyl-β-D-glucose Use and Manufacturing
Found to exhibit in vitro growth-inhibiting effect on human hepatocellular carcinoma cell line, SK-HEP-1 cells
Computed Properties
Molecular Weight:940.7
XLogP3:3.6
Hydrogen Bond Donor Count:15
Hydrogen Bond Acceptor Count:26
Rotatable Bond Count:16
Exact Mass:940.11818112
Monoisotopic Mass:940.11818112
Topological Polar Surface Area:444
Heavy Atom Count:67
Complexity:1680
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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