 Home > Encyclopedia > (2R,3R,4S,5R,6R)-2-[[(2R,9R,15R,16R)-9-chloro-15-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-[[(2R,9R,15R,16R)-9-chloro-15-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-[[(2R,9R,15R,16R)-9-chloro-15-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol structure

CAS No:
149864-63-1
Formula:
C35H59ClO7
Chemical Name:
(2R,3R,4S,5R,6R)-2-[[(2R,9R,15R,16R)-9-chloro-15-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms:
blattellastanoside A;Blattellastanoside A;149864-63-1;DTXSID70933795;6-Chloro-4,5-epoxystigmastan-3-yl hexopyranoside;beta-D-Glucopyranoside, (3beta,4beta,5beta,6alpha)-6-chloro-4,5-epoxystigmastan-3-yl

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(2R,3R,4S,5R,6R)-2-[[(2R,9R,15R,16R)-9-chloro-15-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol Basic Attributes

Molecular Weight：

627.3 g/mol

Exact Mass：

626.3949319 g/mol

Characteristics

PSA：

112 Å²

Drug Information

MeSH Entry Terms：

blattellastanoside A

Computed Properties

Molecular Weight:627.3
XLogP3:7.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:626.3949319
Monoisotopic Mass:626.3949319
Topological Polar Surface Area:112
Heavy Atom Count:43
Complexity:997
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2R,3R,4S,5R,6R)-2-[[(2R,9R,15R,16R)-9-chloro-15-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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