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Licoagroside B

CAT: 0931-T130375-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T130375-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
325144-72-7
Target
Others
Related Pathways
Others
Bioactivity
Licoagroside B is a useful organic compound for research related to life sciences and the catalog number is T130375.
Smiles
Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)CC(C)(O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]1O
Molecular Formula
C18H24O12
Molecular Weight
432.378
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Licoagroside B

Licoagroside B is a monosaccharide derivative resulting from the formal condensation of the hydroxy group of 2-methyl-4-oxo-4H-pyran-3-yl beta-D-glucopyranoside with the carboxy group of 3-hydroxy-3-methylglutaric acid. It has a role as a plant metabolite. It is a beta-D-glucoside, a tertiary alcohol, a dicarboxylic acid monoester and a monosaccharide derivative. It is functionally related to a beta-D-glucose, a 3-hydroxy-3-methylglutaric acid and a 3-hydroxy-2-methyl-4-pyrone.

CAS Number325144-72-7
PubChem CID22297602
IUPAC Name3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methyl-4-oxopyran-3-yl)oxyoxan-2-yl]methoxy]pentanoic acid
Molecular FormulaC18H24O12
Molecular Weight432.4
XLogP-2.4
Topological Polar Surface Area189
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity743
SMILES
CC1=C(C(=O)C=CO1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)CC(C)(CC(=O)O)O)O)O)O
InChI
InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18?/m1/s1
InChIKey
WCVUIHQUPRXYKT-RGCIIANRSA-N
Chemical Structure
2D Structure
2D structure of Licoagroside B
CAS: 325144-72-7
CID: 22297602
Formula: C18H24O12
MW: 432.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.4
XLogP3-2.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass432.12677620
Monoisotopic Mass432.12677620
Topological Polar Surface Area189 Ų
Heavy Atom Count30
Formal Charge0
Complexity743
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19227505-01Licoagroside B

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