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Chemical structure of Complanatoside B

GC76391

Complanatoside B

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

Complanatoside B is a P· chinense Fisch flavonoid with potential anti-inflammatory effects

ChemicalCAS142473-99-2MW756.66FormulaC33H40O20
CAS number
142473-99-2
Molecular weight
756.66
Formula
C33H40O20
Solubility
DMSO： 125 mg/mL (165·20 mM; Need ultrasonic)
InChIKey
YCXFPUHHUJNTNY-CUCHOISXSA-N
Catalogue number
GC76391
Brand
GLPBIO
Computed properties PubChem CID 10440090 · XLogP -2 · TPSA 313 Ų · H-bond donors 11
XLogP
-2
TPSA
313 Ų
H-bond donors
11
H-bond acceptors
20
Rotatable bonds
11
Heavy atoms
53

SMILES COC1=CC(=C2C(=C1)OC(=C(C2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@](CO4)(CO)O)O)C5=CC=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O

Computed descriptors from PubChem (CID 10440090), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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