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Ligstroside

Ligstroside structure

CAS No:
35897-92-8
Formula:
C25H32O12
Chemical Name:
Ligstroside
Synonyms:
2H-Pyran-4-acetic acid,3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-,2-(4-hydroxyphenyl)ethyl ester,(2S,3E,4S)-;2H-Pyran-4-acetic acid,3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-,2-(4-hydroxyphenyl)ethyl ester,[2S-(2α,3E,4β)]-;Ligstroside;Ligustroside
Categories:
Natural Products > Iridoid Derivatives

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Ligstroside Basic Attributes

Molecular Weight：

524.51400

Exact Mass：

524.51

Characteristics

PSA：

181.44000

XLogP3：

-0.31

Density：

1.4±0.1 g/cm3

Boiling Point：

736.9±60.0 °C at 760 mmHg

Flash Point：

245.1±26.4 °C

Refractive Index：

1.614

Drug Information

MeSH Entry Terms：

ligstroside

Computed Properties

Molecular Weight:524.5
XLogP3:-0.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:11
Exact Mass:524.18937645
Monoisotopic Mass:524.18937645
Topological Polar Surface Area:181
Heavy Atom Count:37
Complexity:834
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ligstroside

Basic Attributes
Characteristics
Drug Information
Computed Properties
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Ligstroside

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