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Chemical structure of Emodin 1-O-beta-D-glucoside

GC60151

Emodin 1-O-beta-D-glucoside

Also listed as Emodin-1-O-β-D-glucopyranoside

Emodin-1-O-β-D-glucopyranoside, isolated from medicinal plant Polygonum cuspidatum Sieb

ChemicalCAS38840-23-2MW432.38FormulaC21H20O10
CAS number
38840-23-2
Molecular weight
432.38
Formula
C21H20O10
Solubility
DMSO ： ≥ 100 mg/mL (231·28 mM)
InChIKey
ZXXFEBMBNPRRSI-JNHRPPPUSA-N
Catalogue number
GC60151
Brand
GLPBIO
Computed properties PubChem CID 5319333 · XLogP 0.9 · TPSA 174 Ų · H-bond donors 6
XLogP
0.9
TPSA
174 Ų
H-bond donors
6
H-bond acceptors
10
Rotatable bonds
3
Heavy atoms
31

SMILES CC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)O

Computed descriptors from PubChem (CID 5319333), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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