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Chemical structure of Sibirioside A

GC39048

Sibirioside A

Also known as [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate

Sibirioside A is a phenylpropanoid glycoside isolated from Scrophulariae Radix

ChemicalCAS173046-19-0MW472.44FormulaC21H28O12
CAS number
173046-19-0
Molecular weight
472.44
Formula
C21H28O12
Solubility
Soluble in DMSO
InChIKey
ASHAUBLELZYXKD-ZJKHXSAOSA-N
Catalogue number
GC39048
Brand
GLPBIO
Computed properties PubChem CID 6326022 · XLogP -1.6 · TPSA 196 Ų · H-bond donors 7
XLogP
-1.6
TPSA
196 Ų
H-bond donors
7
H-bond acceptors
12
Rotatable bonds
9
Heavy atoms
33

SMILES C1=CC=C(C=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O

Computed descriptors from PubChem (CID 6326022), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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