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Chemical structure of Anhydrosafflor yellow B

GC60587

Anhydrosafflor yellow B

Also known as (6E)-4-[(2S,3R)-4,7-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxo-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydro-1-benzofuran-3-yl]-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione

Anhydrosafflor yellow B (AHSYB) is a quinochalcone C-glycoside isolated from Carthamus tinctorius

ChemicalCAS184840-84-4MW1044.91FormulaC48H52O26
CAS number
184840-84-4
Molecular weight
1044.91
Formula
C48H52O26
InChIKey
NOXZTJVQKYBYAV-ARYFSBDYSA-N
Catalogue number
GC60587
Brand
GLPBIO
Computed properties PubChem CID 145708070 · XLogP -5.1 · TPSA 480 Ų · H-bond donors 19
XLogP
-5.1
TPSA
480 Ų
H-bond donors
19
H-bond acceptors
26
Rotatable bonds
14
Heavy atoms
74

SMILES C1=CC(=CC=C1/C=C/C(=O)C2=C(C3=C(C(C2=O)([C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@@H]([C@H]3C5=C(/C(=C(/C=C/C6=CC=C(C=C6)O)\O)/C(=O)C(C5=O)([C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O

Computed descriptors from PubChem (CID 145708070), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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