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4-O-Galloylbergenin

4-O-Galloylbergenin structure

CAS No:
82958-45-0
Formula:
C21H20O13
Chemical Name:
4-O-Galloylbergenin
Synonyms:
4-O-Galloylbergenin;4-Galloylbergenin
Categories:
Natural Products > Phenols

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Description

4-o-Galloylbergenin is a 16-oxo steroid.

4-O-Galloylbergenin Basic Attributes

Molecular Weight：

480.3757

Exact Mass：

480.090393

Characteristics

PSA：

213

XLogP3：

1.67

Density：

1.9±0.1 g/cm3

Boiling Point：

898.8±65.0 °C at 760 mmHg

Flash Point：

315.2±27.8 °C

Refractive Index：

1.763

Drug Information

MeSH Entry Terms：

4-O-galloylbergenin

Computed Properties

Molecular Weight:480.4
XLogP3:0.2
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