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Chemical structure of Cistanoside A

GC35701

Cistanoside A

Also known as [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-[[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Cistanoside A is a phenylethanoid isolated from Cistanche deserticola, reduces NO accumulation, but shows no effect on iNOS mRNA, iNOS protein levels or iNOS activity

ChemicalCAS93236-42-1MW800.75FormulaC36H48O20
CAS number
93236-42-1
Molecular weight
800.75
Formula
C36H48O20
Solubility
DMSO ： 100 mg/mL (124·88 mM; Need ultrasonic)
InChIKey
LOGNFAUMIGACHZ-SCWCVTEDSA-N
Catalogue number
GC35701
Brand
GLPBIO
Computed properties PubChem CID 6450499 · XLogP -1.8 · TPSA 313 Ų · H-bond donors 11
XLogP
-1.8
TPSA
313 Ų
H-bond donors
11
H-bond acceptors
20
Rotatable bonds
15
Heavy atoms
56

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)OC)O)O)O)O

Computed descriptors from PubChem (CID 6450499), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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