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1398-78-3

1398-78-3 structural image
Product Name: colocynthin
Formula: C38H54O13
Synonyms: Elaterinide
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H300:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 718.8 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 9
Exact Mass 718.35644177 g/mol
Monoisotopic Mass 718.35644177 g/mol
Topological Polar Surface Area 217 Ų
Heavy Atom Count 51
Formal Charge 0
Complexity 1580
Isotope Atom Count 0
Defined Atom Stereocenter Count 13
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Cucurbitacin E 2-O-beta-D-glucopyranoside is a triterpenoid saponin that is cucurbitacin E attached to a beta-D-glucopyranosyl residue at position 2 via a glycosidic linkage. Isolated from Machilus yaoshansis it exhibits antineoplastic activity. It has a role as a plant metabolite and an antineoplastic agent. It is a cucurbitacin, a beta-D-glucoside, a monosaccharide derivative, a triterpenoid saponin, an acetate ester and a tertiary alpha-hydroxy ketone. It is functionally related to a cucurbitacin E.