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Tanegoside

CAT: 0804-HY-N12094-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N12094-03Size:10 mg
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Description
Tanegoside is a lignan glycoside isolated from the stems of Tinospora sinensis[1].
CAS Number
131653-21-9
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/tanegoside.html
Solubility
10 mM in DMSO
Smiles
OC1=CC=C([C@H]2OC[C@@]([C@]2([H])CO)([H])C(C3=CC=C(C(OC)=C3)O)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)C=C1OC
Molecular Formula
C26H34O12
Molecular Weight
538.54
References & Citations
[1]Li W, et al. New lignan glucosides from the stems of Tinospora sinensis. Chem Pharm Bull (Tokyo) . 2004 May;52 (5) :638-40.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Tanegoside

Tanegoside has been reported in Tinospora sinensis with data available.

CAS Number131653-21-9
PubChem CID168679844
IUPAC Name(2R,3R,4S,5S,6R)-2-[(4-hydroxy-3-methoxyphenyl)-[(3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC26H34O12
Molecular Weight538.5
XLogP-0.3
Topological Polar Surface Area188
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity728
SMILES
COC1=C(C=CC(=C1)[C@@H]2[C@H]([C@@H](CO2)C(C3=CC(=C(C=C3)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O
InChI
InChI=1S/C26H34O12/c1-34-18-7-12(3-5-16(18)29)24-14(9-27)15(11-36-24)25(13-4-6-17(30)19(8-13)35-2)38-26-23(33)22(32)21(31)20(10-28)37-26/h3-8,14-15,20-33H,9-11H2,1-2H3/t14-,15+,20+,21+,22-,23+,24+,25?,26-/m0/s1
InChIKey
WMABCPOXSNGIJO-ABXNQLLSSA-N
Chemical Structure
2D Structure
2D structure of Tanegoside
CAS: 131653-21-9
CID: 168679844
Formula: C26H34O12
MW: 538.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight538.5
XLogP3-0.3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass538.20502652
Monoisotopic Mass538.20502652
Topological Polar Surface Area188 Ų
Heavy Atom Count38
Formal Charge0
Complexity728
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5822698Tanegoside

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