 Home > Encyclopedia > 1,5-dihydroxy-3-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one

1,5-dihydroxy-3-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one

1,5-dihydroxy-3-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one structure

CAS No:
143986-29-2
Formula:
C26H30O16
Chemical Name:
1,5-dihydroxy-3-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one
Synonyms:
Swertiapuniside;
Categories:
Biochemical Engineering > Saccharides

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1,5-dihydroxy-3-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one Basic Attributes

Molecular Weight：

598.50700

Exact Mass：

598.15338487

DSSTox ID：

DTXSID30162589

Characteristics

PSA：

258.43000

XLogP3：

-2.63110

Density：

1.79g/cm3

Boiling Point：

982ºC at 760 mmHg

Flash Point：

326.8ºC

Refractive Index：

1.738

Vapor Pressure：

0mmHg at 25°C

Drug Information

MeSH Entry Terms：

1,5,8-trihydroxy-3-methoxy-xanthone-8-O-beta-D-glucopyranosyl(1-6)-O-beta-D-glucopyranoside

Computed Properties

Molecular Weight:598.5
XLogP3:-1.5
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:7
Exact Mass:598.15338487
Monoisotopic Mass:598.15338487
Topological Polar Surface Area:255
Heavy Atom Count:42
Complexity:925
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,5-dihydroxy-3-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one

Basic Attributes
Characteristics
Drug Information
Computed Properties
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