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Chemical structure of Yuanhuanin

GC70160

Yuanhuanin

Also known as 2-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Yuanhuanin is a natural product originally discovered in D· sericea· It can also be isolated from D· koreana and D· pedunculata

ChemicalCAS83133-14-6MW462.4FormulaC22H22O11
CAS number
83133-14-6
Molecular weight
462.4
Formula
C22H22O11
InChIKey
ZXVSQQSRCKKYLS-MIUGBVLSSA-N
Catalogue number
GC70160
Brand
GLPBIO
Computed properties PubChem CID 179680 · XLogP 0.3 · TPSA 175 Ų · H-bond donors 6
XLogP
0.3
TPSA
175 Ų
H-bond donors
6
H-bond acceptors
11
Rotatable bonds
5
Heavy atoms
33

SMILES COC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C=C(O2)C4=CC(=C(C=C4)O)O

Computed descriptors from PubChem (CID 179680), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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