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28-β-D-Glucopyranosyl 29-methyl (2β,3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-2,23-dihydroxyolean-12-ene-28,29-dioate

28-β-D-Glucopyranosyl 29-methyl (2β,3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-2,23-dihydroxyolean-12-ene-28,29-dioate structure

CAS No:
66656-92-6
Formula:
C48H76O21
Chemical Name:
28-β-D-Glucopyranosyl 29-methyl (2β,3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-2,23-dihydroxyolean-12-ene-28,29-dioate
Synonyms:
Olean-12-ene-28,29-dioic acid,3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-2,23-dihydroxy-,28-β-D-glucopyranosyl 29-methyl ester,(2β,3β,4α,20β)-;28-β-D-Glucopyranosyl 29-methyl (2β,3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-2,23-dihydroxyolean-12-ene-28,29-dioate;Phytolaccasaponin B;Esculentoside H;3-O-(O-β-D-glucopyranosyl-(1→4)-β-D-xylopyranosyl)-28-β-D-glucopyranosylphytolaccagenin
Categories:
Biochemical Engineering > Saccharides

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Description

Esculentoside H (EsH) is a water-soluble saponin isolated and purified from the root extract of perennial plant Phytolacca esculenta[1]. Esculentoside H (EH) has anti-tumor activity, the mechanism is related to the capacity for TNFrelease[2].Esculentoside H (EsH) suppresses colon cancer cell migration through blockage of the JNK1/2 and NF-κB signaling-mediated matrix metalloproteinases-9 (MMP-9) expression[1].

28-β-D-Glucopyranosyl 29-methyl (2β,3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-2,23-dihydroxyolean-12-ene-28,29-dioate Basic Attributes

Molecular Weight：

989.10444

Exact Mass：

989.10

Characteristics

PSA：

342

XLogP3：

1.78

Density：

1.5±0.1 g/cm3

Boiling Point：

1042.8±65.0 °C at 760 mmHg

Flash Point：

295.3±27.8 °C

Refractive Index：

1.635

Drug Information

MeSH Entry Terms：

3-O-(beta-D-glucopyranosyl-(1-4)-beta-D-xylopyranosyl)-28-O-beta-D-glucopyranosylphytolaccagenin

Computed Properties

Molecular Weight:989.1
XLogP3:-1
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:21
Rotatable Bond Count:12
Exact Mass:988.48790943
Monoisotopic Mass:988.48790943
Topological Polar Surface Area:342
Heavy Atom Count:69
Complexity:1920
Defined Atom Stereocenter Count:24
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 28-β-D-Glucopyranosyl 29-methyl (2β,3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-2,23-dihydroxyolean-12-ene-28,29-dioate

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
Learn More Other Chemicals

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