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Licorice glycoside C2

CAT: 0957-E8026-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0957-E8026-1mgSize:1 mg
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CAS Number
202657-55-4
Additionnal Information
Licorice glycoside C2 is a oleanane-type triterpene oligoglycoside isolated from Glycyrrhiza uralensis. Various biological activities are associated with licorice extracts, such as anti-viral, anti-microbial, antioxidant, anti-inflammatory, anti-ulcer, anti-cancer and anti-HIV effects.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

Licorice glycoside C2

Licorice glycoside C2 has been reported in Glycyrrhiza inflata with data available.

CAS Number202657-55-4
PubChem CID101938907
IUPAC Name[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2S)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular FormulaC36H38O16
Molecular Weight726.7
XLogP0.9
Topological Polar Surface Area240
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Heavy Atom Count52
Formal Charge0
Complexity1230
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@]2(CO[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3OC4=CC=C(C=C4)[C@@H]5CC(=O)C6=C(O5)C=C(C=C6)O)CO)O)O)O)O
InChI
InChI=1S/C36H38O16/c1-46-27-12-18(2-10-23(27)39)3-11-29(41)47-16-36(45)17-48-35(33(36)44)52-32-31(43)30(42)28(15-37)51-34(32)49-21-7-4-19(5-8-21)25-14-24(40)22-9-6-20(38)13-26(22)50-25/h2-13,25,28,30-35,37-39,42-45H,14-17H2,1H3/b11-3+/t25-,28+,30+,31-,32+,33-,34+,35-,36+/m0/s1
InChIKey
GSIREHLZHMQJNR-GUEBRSMLSA-N
Chemical Structure
2D Structure
2D structure of Licorice glycoside C2
CAS: 202657-55-4
CID: 101938907
Formula: C36H38O16
MW: 726.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight726.7
XLogP30.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Exact Mass726.21598512
Monoisotopic Mass726.21598512
Topological Polar Surface Area240 Ų
Heavy Atom Count52
Formal Charge0
Complexity1230
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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