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Steviolmonoside

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Description
Glucosilsteviol is a sophorose component of steviol replaced by glucose.
CAS Number
60129-60-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
480.6
Molecular Formula
C26H40O8
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Steviolmonoside

Steviolmonoside is a beta-D-glucoside resulting from the formal condensation the tertiary allylic hydroxy group of steviol with beta-D-glucopyranose. It is a beta-D-glucoside, a monocarboxylic acid, a bridged compound, an ent-kaurane diterpenoid, a tetracyclic diterpenoid and a diterpene glycoside. It is functionally related to a steviol. It is a conjugate acid of a steviolmonoside(1-).

CAS Number60129-60-4
PubChem CID21593622
IUPAC Name(1R,4S,5R,9S,10R,13S)-5,9-dimethyl-14-methylidene-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Molecular FormulaC26H40O8
Molecular Weight480.6
XLogP2.2
Topological Polar Surface Area137
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity862
SMILES
C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C(=O)O
InChI
InChI=1S/C26H40O8/c1-14-11-25-9-5-16-23(2,7-4-8-24(16,3)22(31)32)17(25)6-10-26(14,13-25)34-21-20(30)19(29)18(28)15(12-27)33-21/h15-21,27-30H,1,4-13H2,2-3H3,(H,31,32)/t15-,16+,17+,18-,19+,20-,21+,23-,24-,25-,26+/m1/s1
InChIKey
QSIDJGUAAUSPMG-CULFPKEHSA-N
Chemical Structure
2D Structure
2D structure of Steviolmonoside
CAS: 60129-60-4
CID: 21593622
Formula: C26H40O8
MW: 480.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight480.6
XLogP32.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass480.27231823
Monoisotopic Mass480.27231823
Topological Polar Surface Area137 Ų
Heavy Atom Count34
Formal Charge0
Complexity862
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes