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Chemical structure of Apiopaeonoside

GC35375

Apiopaeonoside

Also known as 1-[2-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]ethanone

Apiopaeonoside is a natural product isolated from the root of Paeonia suffruticosa

ChemicalCAS100291-86-9MW460.43FormulaC20H28O12
CAS number
100291-86-9
Molecular weight
460.43
Formula
C20H28O12
Solubility
DMSO ： 100 mg/mL (217·19 mM; Need ultrasonic)
InChIKey
IRLNKOAURQPXIQ-UHFFFAOYSA-N
Catalogue number
GC35375
Brand
GLPBIO
Computed properties PubChem CID 127509 · XLogP -2.4 · TPSA 185 Ų · H-bond donors 6
XLogP
-2.4
TPSA
185 Ų
H-bond donors
6
H-bond acceptors
12
Rotatable bonds
8
Heavy atoms
32

SMILES CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O

Computed descriptors from PubChem (CID 127509), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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