Name: Cucurbitacin E-2-O-glucoside
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HIT ID:HIT218671880
Cas No:1398-78-3
Common Name:Cucurbitacin E-2-O-glucoside
alias:Elaterinide, 2-β-glucopyranoside
IUPAC:(3E,6R)-6-[(1R,2R,3aS,3bS,9aR,9bR,11aR)-2-hydroxy-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
IUPAC:(3E,6R)-6-[(1R,2R,3aS,3bS,9aR,9bR,11aR)-2-hydroxy-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
InChI key:QKEJRKXVLGOJMB-YYBMGDPWSA-N

Molecular Formula:C38H54O13
Molecular Weight:718.837
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
SMILES:CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

Cucurbitacin E-2-O-glucoside (Standard) is a reference standard for research and analysis in studies involving Cucurbitacin E-2-O-glucoside. Cucurbitacin E-2-O-glucoside (2-β-glucopyranoside) is a triterpene compound derived from the roots of Citrullus colocynthis that inhibits pro-inflammatory cytokines.

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