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Chemical structure of Chrysophanein

GC35691

Chrysophanein

Also known as 8-hydroxy-3-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione

Chrysophanein is a chrysophanol glycoside from leaves and roots of Aloe hijazensis· Chrysophanein shows a moderate cytotoxic activity against several carcinoma cells lines

ChemicalCAS4839-60-5MW416.38FormulaC21H20O9
CAS number
4839-60-5
Molecular weight
416.38
Formula
C21H20O9
Solubility
Soluble in DMSO
InChIKey
QKPDYSSHOSPOKH-JNHRPPPUSA-N
Catalogue number
GC35691
Brand
GLPBIO
Computed properties PubChem CID 6324923 · XLogP 1.3 · TPSA 154 Ų · H-bond donors 5
XLogP
1.3
TPSA
154 Ų
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
3
Heavy atoms
30

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=CC=C4O

Computed descriptors from PubChem (CID 6324923), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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