BIAdb Nchembio.2007.32-comp7 2755

From DrugPedia: A Wikipedia for Drug discovery

Revision as of 00:00, 15 January 2001 by Special:Contributions/ (Talk)
(diff) ←Older revision | Current revision (diff) | Newer revision→ (diff)
Jump to: navigation, search

Show 3-D Structure

Show 2-D Structure

BIAdb Nchembio.2007.32-comp7 2755
Systematic (IUPAC) name
N/A
Identifiers
CAS number  ?
ATC code  ?
PubChem 16677972
Chemical data
Formula C23H27NO9
Mol. mass 461.46178
SMILES eMolecules & PubChem
Pharmacokinetic data
Bioavailability  ?
Metabolism  ?
Half life  ?
Excretion  ?
Therapeutic considerations
Pregnancy cat.

?

Legal status
Routes  ?

Contents

Description

Source

N/A

Function

Unknown

General Properties

*Molecular Weight

461.46178

*Exact Mass

461.168581

*Molecular Formula

C23H27NO9

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC23C4CC1C5=C2C(=C(C=C5)O)OC3C(C=C4)OC6C(C(C(C(O6)C(=O)O)O)O)O

*Isomeric Smiles

CN1CC[C@]23[C@@H]4CC1C5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O

*XLogP

-2.2

*Hydrogen bond donor

5

*Hydrogen bond acceptor

10

*Rotational Bond Count

3

*Topological Polar Surface Area

149

External Links

Link to BIAdb Database

Retrieved from "http://277988.efsst.group/drugpedia/index.php/BIAdb_Nchembio.2007.32-comp7_2755"