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Chemical structure of Shanziside

GC39002

Shanziside

Also known as (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid

Shanziside is a iridoid glucoside isolated from Phlomis tuberosa L

ChemicalCAS29836-27-9MW392.36FormulaC16H24O11
CAS number
29836-27-9
Molecular weight
392.36
Formula
C16H24O11
Solubility
DMSO : 50 mg/mL (127·43 mM; Need ultrasonic)
InChIKey
YSIFYNVXJOGADM-KDYWOABDSA-N
Catalogue number
GC39002
Brand
GLPBIO
Computed properties PubChem CID 11948668 · XLogP -2.9 · TPSA 186 Ų · H-bond donors 7
XLogP
-2.9
TPSA
186 Ų
H-bond donors
7
H-bond acceptors
11
Rotatable bonds
4
Heavy atoms
27

SMILES C[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

Computed descriptors from PubChem (CID 11948668), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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