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Sakakin

CAS No.:
21082-33-7
Catalog Number:
AG002KZE
Molecular Formula:
C13H18O7
Molecular Weight:
286.2778
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
1 week
United States
$274
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Product Description
Catalog Number:
AG002KZE
Chemical Name:
Sakakin
CAS Number:
21082-33-7
Molecular Formula:
C13H18O7
Molecular Weight:
286.2778
MDL Number:
MFCD06794970
IUPAC Name:
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol
InChI:
InChI=1S/C13H18O7/c1-6-2-7(15)4-8(3-6)19-13-12(18)11(17)10(16)9(5-14)20-13/h2-4,9-18H,5H2,1H3/t9-,10-,11+,12-,13?/m1/s1
InChI Key:
YTXIGTCAQNODGD-HENWMNBSSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2cc(C)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
286.105g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
286.28g/mol
Monoisotopic Mass:
286.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
Title Journal
New seco-anthraquinone glucosides from Rumex nepalensis. Planta medica 20090801
The effects of Rhizoma Curculiginis and Rhizoma Drynariae extracts on bones. Chinese medicine 20070101
Antioxidative phenols and phenolic glycosides from Curculigo orchioides. Chemical & pharmaceutical bulletin 20050801
Properties