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Chemical structure of Choerospondin

GC35686

Choerospondin

Also known as (2S)-5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one

Choerospondin is a flavanone isolated from the bark of Choerospondias axillaris

ChemicalCAS81202-36-0MW434.39FormulaC21H22O10
CAS number
81202-36-0
Molecular weight
434.39
Formula
C21H22O10
Solubility
Soluble in DMSO
InChIKey
KSDSYIXRWHRPMN-SFTVRKLSSA-N
Catalogue number
GC35686
Brand
GLPBIO
Computed properties PubChem CID 157745 · XLogP 0.6 · TPSA 166 Ų · H-bond donors 6
XLogP
0.6
TPSA
166 Ų
H-bond donors
6
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
31

SMILES C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Computed descriptors from PubChem (CID 157745), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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