 Home > Encyclopedia > 3-[(2S,3S,4S,5R,6R)-3,4-dihydroxy-6-methoxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one

3-[(2S,3S,4S,5R,6R)-3,4-dihydroxy-6-methoxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one

3-[(2S,3S,4S,5R,6R)-3,4-dihydroxy-6-methoxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one structure

CAS No:
101330-77-2
Formula:
C28H32O16
Chemical Name:
3-[(2S,3S,4S,5R,6R)-3,4-dihydroxy-6-methoxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
Synonyms:
Rhamnetin-O(3)-neohesperidoside;

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3-[(2S,3S,4S,5R,6R)-3,4-dihydroxy-6-methoxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one Basic Attributes

Molecular Weight：

624.54400

Exact Mass：

624.16903493

DSSTox ID：

DTXSID60143861

Characteristics

PSA：

247.43000

XLogP3：

-0.77250

Density：

1.69g/cm3

Boiling Point：

941.9ºC at 760mmHg

Flash Point：

309.2ºC

Refractive Index：

1.707

Vapor Pressure：

0mmHg at 25°C

Drug Information

MeSH Entry Terms：

rhamnetin-3-O-neohesperidoside

Computed Properties

Molecular Weight:624.5
XLogP3:-0.3
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:7
Exact Mass:624.16903493
Monoisotopic Mass:624.16903493
Topological Polar Surface Area:244
Heavy Atom Count:44
Complexity:1040
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[(2S,3S,4S,5R,6R)-3,4-dihydroxy-6-methoxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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