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Chemical structure of Ilexoside D

GC38513

Ilexoside D

Also known as (1R,2S,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Ilexoside D is isolated from the roots of Ilex pubescens Hook

ChemicalCAS109008-27-7MW766.95FormulaC41H66O13
CAS number
109008-27-7
Molecular weight
766.95
Formula
C41H66O13
Solubility
DMSO ： 100 mg/mL (130·39 mM; Need ultrasonic)
InChIKey
WBDDWIKJZNNKBQ-FGIVEGHUSA-N
Catalogue number
GC38513
Brand
GLPBIO
Computed properties PubChem CID 21626431 · XLogP 2.8 · TPSA 216 Ų · H-bond donors 8
XLogP
2.8
TPSA
216 Ų
H-bond donors
8
H-bond acceptors
13
Rotatable bonds
6
Heavy atoms
54

SMILES C[C@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O

Computed descriptors from PubChem (CID 21626431), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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