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Home > Encyclopedia > (1S)-1α-(β-D-Glucopyranosyloxy)-5β-hydroxy-7-(acetoxymethyl)-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester

(1S)-1α-(β-D-Glucopyranosyloxy)-5β-hydroxy-7-(acetoxymethyl)-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester

(1S)-1α-(β-D-Glucopyranosyloxy)-5β-hydroxy-7-(acetoxymethyl)-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester structure

(1S)-1α-(β-D-Glucopyranosyloxy)-5β-hydroxy-7-(acetoxymethyl)-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester 

structure
  • CAS No:

    14260-99-2

  • Formula:

    C19H26O12

  • Chemical Name:

    (1S)-1α-(β-D-Glucopyranosyloxy)-5β-hydroxy-7-(acetoxymethyl)-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester

  • Synonyms:

    (1S)-1α-(β-D-Glucopyranosyloxy)-5β-hydroxy-7-(acetoxymethyl)-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester;(1S)-7-(Acetoxymethyl)-1α-(β-D-glucopyranosyloxy)-1,4aα,5,7aα-tetrahydro-5β-hydroxycyclopenta[c]pyran-4-carboxylic acid methyl ester;(1S,4aα,7aα)-7-[(Acetyloxy)methyl]-1α-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5β-hydroxycyclopenta[c]pyran-4-carboxylic acid methyl ester;Asperulosidic acid methyl ester;Daphylloside;Methyl asperulosidic acid

  • Categories:

    Natural Products  >  Iridoid Derivatives

Description

Daphylloside is an iridoid isolated from the aerial parts of Galium verum.

(1S)-1α-(β-D-Glucopyranosyloxy)-5β-hydroxy-7-(acetoxymethyl)-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester Basic Attributes

446.405

446.142426

Characteristics

181.44000

-2.47

1.6±0.1 g/cm3

678.3±55.0 °C at 760 mmHg

237.7±25.0 °C

1.610

Computed Properties

Molecular Weight:446.4
XLogP3:-2.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:446.14242626
Monoisotopic Mass:446.14242626
Topological Polar Surface Area:181
Heavy Atom Count:31
Complexity:748
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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