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Desacylescin I

Desacylescin I structure

Desacylescin I 

structure
  • CAS No:

    26339-92-4

  • Formula:

    C48H78O22

  • Chemical Name:

    Desacylescin I

  • Synonyms:

    β-D-Glucopyranosiduronic acid,(3β,4β,16α,21β,22α)-16,21,22,23,28-pentahydroxyolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-;(3β,4β,16α,21β,22α)-16,21,22,23,28-Pentahydroxyolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosiduronic acid;Aesculuside B;Desacylescin I

Desacylescin I Basic Attributes

1007.1

1007.12

-0

Characteristics

376

-0.57

1.5±0.1 g/cm3

1120.8±65.0 °C at 760 mmHg

318.6±27.8 °C

1.656

Computed Properties

Molecular Weight:1007.1
XLogP3:-1.7
Hydrogen Bond Donor Count:15
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:11
Exact Mass:1006.49847411
Monoisotopic Mass:1006.49847411
Topological Polar Surface Area:376
Heavy Atom Count:70
Complexity:1930
Defined Atom Stereocenter Count:27
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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