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Undulatoside A

CAT: 0804-HY-N8918-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N8918-01Size:1 mg
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Description
Undulatoside A is a Phenols product that can be isolated from the herbs of Knoxia corymbosa[1].
CAS Number
58108-99-9
UNSPSC
12352005
Hazard Statement
H302-H361-H372-H410
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/undulatoside-a.html
Smiles
OC1=C2C(OC(C)=CC2=O)=CC(O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)=C1
Molecular Formula
C16H18O9
Molecular Weight
354.31
Precautions
P264-P280-P301+P330+P331
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Undulatoside A

Undulatoside A has been reported in Camellia sinensis, Cnidium monnieri, and other organisms with data available.

CAS Number58108-99-9
PubChem CID5321494
IUPAC Name5-hydroxy-2-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular FormulaC16H18O9
Molecular Weight354.31
XLogP0
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity536
SMILES
CC1=CC(=O)C2=C(C=C(C=C2O1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C16H18O9/c1-6-2-8(18)12-9(19)3-7(4-10(12)23-6)24-16-15(22)14(21)13(20)11(5-17)25-16/h2-4,11,13-17,19-22H,5H2,1H3/t11-,13-,14+,15-,16-/m1/s1
InChIKey
BYYDEEAJCDGLER-YMILTQATSA-N
Chemical Structure
2D Structure
2D structure of Undulatoside A
CAS: 58108-99-9
CID: 5321494
Formula: C16H18O9
MW: 354.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.31
XLogP30
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass354.09508215
Monoisotopic Mass354.09508215
Topological Polar Surface Area146 Ų
Heavy Atom Count25
Formal Charge0
Complexity536
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN5202Undulatoside A

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