 Home > Encyclopedia > (3β,12β,16β,20β,21β)-21-(Benzoyloxy)-12,13-epoxy-3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl)oxy]-16-hydroxyoleanan-29-al

(3β,12β,16β,20β,21β)-21-(Benzoyloxy)-12,13-epoxy-3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl)oxy]-16-hydroxyoleanan-29-al

(3β,12β,16β,20β,21β)-21-(Benzoyloxy)-12,13-epoxy-3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl)oxy]-16-hydroxyoleanan-29-al structure

CAS No:
90547-93-6
Formula:
C54H80O20
Chemical Name:
(3β,12β,16β,20β,21β)-21-(Benzoyloxy)-12,13-epoxy-3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl)oxy]-16-hydroxyoleanan-29-al
Synonyms:
Oleanan-29-al,21-(benzoyloxy)-12,13-epoxy-3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl)oxy]-16-hydroxy-,(3β,12β,16β,20β,21β)-;(3β,12β,16β,20β,21β)-21-(Benzoyloxy)-12,13-epoxy-3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl)oxy]-16-hydroxyoleanan-29-al;Avenacin B 2

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Description

Avenacin B-2 is a triterpenoid.

(3β,12β,16β,20β,21β)-21-(Benzoyloxy)-12,13-epoxy-3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl)oxy]-16-hydroxyoleanan-29-al Basic Attributes

Molecular Weight：

1049.201

Exact Mass：

1049.20

DSSTox ID：

DTXSID60331665

Characteristics

PSA：

314

XLogP3：

Computed Properties

Molecular Weight:1049.2
XLogP3:2
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:12
Exact Mass:1048.52429494
Monoisotopic Mass:1048.52429494
Topological Polar Surface Area:314
Heavy Atom Count:74
Complexity:2060
Defined Atom Stereocenter Count:27
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: 1-chlorobutane; potassium sulfide chemical formula; pocl3; hydrogen sulphide formula; thiabendazole; acetate molecular formula

Guide of (3β,12β,16β,20β,21β)-21-(Benzoyloxy)-12,13-epoxy-3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl)oxy]-16-hydroxyoleanan-29-al

Description
Basic Attributes
Characteristics
Computed Properties

(3β,12β,16β,20β,21β)-21-(Benzoyloxy)-12,13-epoxy-3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl)oxy]-16-hydroxyoleanan-29-al

SDS

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