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Chemical structure of Isoastilbin

GC60206

Isoastilbin

Also known as (2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one

Isoastilbin is a dihydroflavonol glycoside compound in Rhizoma Smilacis glabrae and Astragalus membranaceus

ChemicalCAS54081-48-0MW450.39FormulaC21H22O11
CAS number
54081-48-0
Molecular weight
450.39
Formula
C21H22O11
InChIKey
ZROGCCBNZBKLEL-OOHAXVOVSA-N
Catalogue number
GC60206
Brand
GLPBIO
Computed properties PubChem CID 9981176 · XLogP 0.4 · TPSA 186 Ų · H-bond donors 7
XLogP
0.4
TPSA
186 Ų
H-bond donors
7
H-bond acceptors
11
Rotatable bonds
3
Heavy atoms
32

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O

Computed descriptors from PubChem (CID 9981176), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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