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1-hydroxy-3,4-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one

1-hydroxy-3,4-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one structure

CAS No:
76907-78-3
Formula:
C21H22O11
Chemical Name:
1-hydroxy-3,4-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
Synonyms:
Veratriloside;

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1-hydroxy-3,4-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one Basic Attributes

Molecular Weight：

450.39300

Exact Mass：

450.11621151

DSSTox ID：

DTXSID30227708

Characteristics

PSA：

168.28000

XLogP3：

-0.15230

Density：

1.568g/cm3

Boiling Point：

781.2ºC

Flash Point：

275.8ºC

Refractive Index：

1.663

Drug Information

MeSH Entry Terms：

1-hydroxy-7-O-beta-D-glucopyranosyl-3,4-dimethoxy-xanthone

Computed Properties

Molecular Weight:450.4
XLogP3:0.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:450.11621151
Monoisotopic Mass:450.11621151
Topological Polar Surface Area:164
Heavy Atom Count:32
Complexity:662
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-hydroxy-3,4-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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