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11-O-Galloylbergenin

11-O-Galloylbergenin structure

CAS No:
82958-44-9
Formula:
C21H20O13
Chemical Name:
11-O-Galloylbergenin
Synonyms:
Benzoic acid,3,4,5-trihydroxy-,[(2R,3S,4S,4aR,10bS)-2,3,4,4a,6,10b-hexahydro-3,4,8,10-tetrahydroxy-9-methoxy-6-oxopyrano[3,2-c][2]benzopyran-2-yl]methyl ester;Benzoic acid,3,4,5-trihydroxy-,(2,3,4,4a,6,10b-hexahydro-3,4,8,10-tetrahydroxy-9-methoxy-6-oxopyrano[3,2-c][2]benzopyran-2-yl)methyl ester,[2R-(2α,3β,4α,4aα,10bβ)]-;Pyrano[3,2-c][2]benzopyran,benzoic acid deriv.;11-O-Galloylbergenin
Categories:
Natural Products > Phenols

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Description

11-o-Galloylbergenin is a trihydroxybenzoic acid.

11-O-Galloylbergenin Basic Attributes

Molecular Weight：

480.3757

Exact Mass：

480.38

Characteristics

PSA：

212.67000

XLogP3：

1.81

Density：

1.7±0.1 g/cm3

Melting Point：

269 °C

Boiling Point：

887.5±65.0 °C at 760 mmHg

Flash Point：

311.3±27.8 °C

Refractive Index：

1.705

Drug Information

MeSH Entry Terms：

11-O-galloylbergenin

Computed Properties

Molecular Weight:480.4
XLogP3:-0.4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:5
Exact Mass:480.09039069
Monoisotopic Mass:480.09039069
Topological Polar Surface Area:213
Heavy Atom Count:34
Complexity:751
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes