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Glycyroside

CAT: 1410-M38849-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M38849-02Size:5 mg
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Description
Glycyroside is an isoflavone diglycoside isolated from Glycyrrhiza eurycarpa P. C. Li.
CAS Number
125310-04-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
562.52
Molecular Formula
C27H30O13
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

7-((2S,3R,4S,5S,6R)-3-((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3-(4-methoxyphenyl)chromen-4-one

CID 101939210 has been reported in Spatholobus suberectus and Glycyrrhiza uralensis with data available.

CAS Number125310-04-5
PubChem CID101939210
IUPAC Name7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(4-methoxyphenyl)chromen-4-one
Molecular FormulaC27H30O13
Molecular Weight562.5
XLogP-0.2
Topological Polar Surface Area194
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity907
SMILES
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O
InChI
InChI=1S/C27H30O13/c1-35-14-4-2-13(3-5-14)17-10-36-18-8-15(6-7-16(18)20(17)30)38-25-23(22(32)21(31)19(9-28)39-25)40-26-24(33)27(34,11-29)12-37-26/h2-8,10,19,21-26,28-29,31-34H,9,11-12H2,1H3/t19-,21-,22+,23-,24+,25-,26+,27-/m1/s1
InChIKey
TUUBGLDJKKCMRH-LDSFXQROSA-N
Chemical Structure
2D Structure
2D structure of 7-((2S,3R,4S,5S,6R)-3-((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3-(4-methoxyphenyl)chromen-4-one
CAS: 125310-04-5
CID: 101939210
Formula: C27H30O13
MW: 562.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.5
XLogP3-0.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass562.16864101
Monoisotopic Mass562.16864101
Topological Polar Surface Area194 Ų
Heavy Atom Count40
Formal Charge0
Complexity907
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
AB2691Glycyroside

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