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Soyasaponin Aa

Soyasaponin Aa structure

CAS No:
117230-33-8
Formula:
C64H100O31
Chemical Name:
Soyasaponin Aa
Synonyms:
β-D-Glucopyranosiduronic acid,(3β,4β,21β,22β)-21,23-dihydroxy-22-[[3-O-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)-α-L-arabinopyranosyl]oxy]olean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-;(3β,4β,21β,22β)-21,23-Dihydroxy-22-[[3-O-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)-α-L-arabinopyranosyl]oxy]olean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-β-D-glucopyranosiduronic acid;Soyasaponin Aa
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Solid

Soyasaponin Aa Basic Attributes

Molecular Weight：

1365.46000

Exact Mass：

1365.46

Characteristics

PSA：

471.49000

XLogP3：

-2.71320

Density：

1.5

Melting Point：

255-258°C

Refractive Index：

1.625

Computed Properties

Molecular Weight:1365.5
XLogP3:-0.6
Hydrogen Bond Donor Count:14
Hydrogen Bond Acceptor Count:31
Rotatable Bond Count:20
Exact Mass:1364.6248564
Monoisotopic Mass:1364.6248564
Topological Polar Surface Area:472
Heavy Atom Count:95
Complexity:2780
Undefined Atom Stereocenter Count:34
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes