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Chemical structure of Theasaponin E2

GC74255

Theasaponin E2

Also known as (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

Theasaponin E2 shows cytotoxicity against K562 and HL60 cells (IC50: 14·7 μg/mL)

ChemicalCAS220114-30-7MW1231.33FormulaC59H90O27
CAS number
220114-30-7
Molecular weight
1231.33
Formula
C59H90O27
Solubility
DMSO ： 200 mg/mL (162·43 mM; Need ultrasonic)
InChIKey
RPFAABJEBARVGF-MWQJAWBESA-N
Catalogue number
GC74255
Brand
GLPBIO
Computed properties PubChem CID 100928210 · XLogP -0.9 · TPSA 424 Ų · H-bond donors 13
XLogP
-0.9
TPSA
424 Ų
H-bond donors
13
H-bond acceptors
27
Rotatable bonds
17
Heavy atoms
86

SMILES C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)C=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)COC(=O)C)O

Computed descriptors from PubChem (CID 100928210), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
Quoted in ILS, excl. VAT. Add the item to your quote and we confirm the final price, usually the same business day.
Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.