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Chemical structure of Aloeresin D

GC35299

Aloeresin D

Also known as [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

Aloeresin D is a chromone glycoside isolated from Aloe vera, inhibits β-Secretase (BACE1) activity, with an IC50 of 39 μM

ChemicalCAS105317-67-7MW556.56FormulaC29H32O11
CAS number
105317-67-7
Molecular weight
556.56
Formula
C29H32O11
Solubility
DMSO ： 250 mg/mL (449·19 mM; ultrasonic and warming and heat to 60°C)
InChIKey
OUGNWRCWQLUXHX-ACWXGELRSA-N
Catalogue number
GC35299
Brand
GLPBIO
Computed properties PubChem CID 14211225 · XLogP 1.7 · TPSA 172 Ų · H-bond donors 5
XLogP
1.7
TPSA
172 Ų
H-bond donors
5
H-bond acceptors
11
Rotatable bonds
9
Heavy atoms
40

SMILES CC1=CC(=C(C2=C1C(=O)C=C(O2)C[C@@H](C)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)OC

Computed descriptors from PubChem (CID 14211225), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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