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Chemical structure of Dulcoside A

GC38514

Dulcoside A

Also known as [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 13-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

Dulcoside A is isolated from Stevia rebaudiana, it often advertised as a sweetener

ChemicalCAS64432-06-0MW788.87FormulaC38H60O17
CAS number
64432-06-0
Molecular weight
788.87
Formula
C38H60O17
Solubility
DMSO ： 100 mg/mL (126·76 mM; Need ultrasonic)
InChIKey
CANAPGLEBDTCAF-UHFFFAOYSA-N
Catalogue number
GC38514
Brand
GLPBIO
Computed properties PubChem CID 13370038 · XLogP -0.7 · TPSA 275 Ų · H-bond donors 10
XLogP
-0.7
TPSA
275 Ų
H-bond donors
10
H-bond acceptors
17
Rotatable bonds
9
Heavy atoms
55

SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC34CCC5C6(CCCC(C6CCC5(C3)CC4=C)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C)CO)O)O)O)O)O

Computed descriptors from PubChem (CID 13370038), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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