Soyasaponin I
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Soyasaponin I
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CAS No:
51330-27-9
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Formula:
C48H78O18
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Chemical Name:
Soyasaponin I
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Synonyms:
β-D-Glucopyranosiduronic acid,(3β,4β,22β)-22,23-dihydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-;(3β,4β,22β)-22,23-Dihydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-β-D-glucopyranosiduronic acid;Soyasaponin I;SCM 3B;Soyasaponin Bb;Soyasaponin B-I;Soysaponin I;55366-25-1;868560-68-3;189220-80-2;220640-76-6
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CAS No:
Description
soyasaponin Bb is a soyasaponin isolated from Phaseolus vulgaris, acting as an aldose reductase differential inhibitor (ARDI)[1].
Soyasaponin I is a triterpenoid saponin that is composed of soyasapogenol B having an alpha-L-rhamnopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid moiety attached at the 3-position via a glycosidic linkage. It has a role as a sialyltransferase inhibitor. It is a pentacyclic triterpenoid, a triterpenoid saponin, a trisaccharide derivative and a carbohydrate acid derivative. It derives from a soyasapogenol B. It is a conjugate acid of a soyasaponin I(1-).
Characteristics
295
8.99
1.4±0.1 g/cm3
220-222 °C @ Solvent: Methanol
1024.2±65.0 °C at 760 mmHg
291.2±27.8 °C
1.622
ethanol: soluble1mg/mL, clear, colorless
2-8°C
Computed Properties
Molecular Weight:943.1
XLogP3:2.4
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:9
Exact Mass:942.51881563
Monoisotopic Mass:942.51881563
Topological Polar Surface Area:295
Heavy Atom Count:66
Complexity:1820
Defined Atom Stereocenter Count:25
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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