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Stevioside hydrate

CAT: 0926-XS165242-03Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-XS165242-03Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57817-89-7
MDL Number
MFCD00079561
Smiles
C[C@]12[C@]3 ([C@]4 (C[C@] (O[C@H]5[C@H] (O[C@@H]6O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]6O) [C@@H] (O) [C@H] (O) [C@@H] (CO) O5) (C (=C) C4) CC3) CC[C@@]1 ([C@@] (C (O[C@@H]7O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]7O) =O) (C) CCC2) [H]) [H]
Molecular Formula
C38H60O18•xH2O
Molecular Weight
804.87 g/mol
Controlled
No

Chemical Information

Stevioside

Stevioside is a diterpene glycoside that is rubusoside in which the hydroxy group at position 2 of the allylic beta-D-glucoside has been converted to the corresponding beta-D-glucoside. It is a natural herbal sweetener that is 250-300 times sweeter than sucrose (though with a bitter aftertaste), extracted from the Stevia rebaudiana plant native to South America. It has a role as an antioxidant, a hypoglycemic agent, an antineoplastic agent, a sweetening agent, an anti-inflammatory agent and a plant metabolite. It is a beta-D-glucoside, a bridged compound, an ent-kaurane diterpenoid, a tetracyclic diterpenoid and a diterpene glycoside. It is functionally related to a rubusoside and a steviol.

CAS Number57817-89-7
PubChem CID442089
IUPAC Name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Molecular FormulaC38H60O18
Molecular Weight804.9
XLogP-1.2
Topological Polar Surface Area295
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count18
Rotatable Bond Count10
Heavy Atom Count56
Formal Charge0
Complexity1450
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@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
InChI
InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1
InChIKey
UEDUENGHJMELGK-HYDKPPNVSA-N
Chemical Structure
2D Structure
2D structure of Stevioside
CAS: 57817-89-7
CID: 442089
Formula: C38H60O18
MW: 804.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight804.9
XLogP3-1.2
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count18
Rotatable Bond Count10
Exact Mass804.37796506
Monoisotopic Mass804.37796506
Topological Polar Surface Area295 Ų
Heavy Atom Count56
Formal Charge0
Complexity1450
Isotope Atom Count0
Defined Atom Stereocenter Count21
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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