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Chemical structure of Arabelline

GC68680

Arabelline

Also known as 9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one

Arabelline is a natural glycoside that can be isolated from Haplophyllum suaveolens

ChemicalCAS133084-20-5MW674.6FormulaC32H34O16
CAS number
133084-20-5
Molecular weight
674.6
Formula
C32H34O16
InChIKey
FQMUJJZFGOZSSZ-CCCWDYDVSA-N
Catalogue number
GC68680
Brand
GLPBIO
Computed properties PubChem CID 14731306 · XLogP -0.3 · TPSA 222 Ų · H-bond donors 6
XLogP
-0.3
TPSA
222 Ų
H-bond donors
6
H-bond acceptors
16
Rotatable bonds
8
Heavy atoms
48

SMILES COC1=C(C=C2C(=C1)C(=C3C(=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@H](CO5)O)O)O)O)O)O)COC3=O)C6=CC7=C(C=C6)OCO7)OC

Computed descriptors from PubChem (CID 14731306), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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