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Chemical structure of Rebaudioside O

GC69808

Rebaudioside O

Also known as [(2S,3R,4S,5R,6R)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

Rebaudioside O is a type of steviol glycoside that can be isolated from S·rebaudiana Morita, which was bred from S·rebaudiana Bertoni· Rebaudioside O can be used as a sweetener

ChemicalCAS1220616-48-7MW1437.44FormulaC62H100O37
CAS number
1220616-48-7
Molecular weight
1437.44
Formula
C62H100O37
InChIKey
KTOQMKFUTRIEQB-GXSUQLSCSA-N
Catalogue number
GC69808
Brand
GLPBIO
Computed properties PubChem CID 92023639 · XLogP -7.1 · TPSA 591 Ų · H-bond donors 22
XLogP
-7.1
TPSA
591 Ų
H-bond donors
22
H-bond acceptors
37
Rotatable bonds
21
Heavy atoms
99

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)[C@@]3(CCC[C@@]4([C@@H]3CC[C@]56[C@H]4CC[C@](C5)(C(=C)C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O

Computed descriptors from PubChem (CID 92023639), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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