BIAdb Asimilobine-2-O-glucoside 1230

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Revision as of 00:00, 15 January 2001

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BIAdb Asimilobine-2-O-glucoside 1230
Systematic (IUPAC) name
N/A
Identifiers
CAS number  ?
ATC code  ?
PubChem 158546
Chemical data
Formula C23H27NO7
Mol. mass 429.46298
SMILES eMolecules & PubChem
Pharmacokinetic data
Bioavailability  ?
Metabolism  ?
Half life  ?
Excretion  ?
Therapeutic considerations
Pregnancy cat.

?

Legal status
Routes  ?

Contents

Description

Source

Stephania pierrei

Function

Cytotoxic

General Properties

*Molecular Weight

429.46298

*Exact Mass

429.178752

*Molecular Formula

C23H27NO7

*IUPAC NAME

N/A

*Canonical Smiles

COC1=C(C=C2CCNC3C2=C1C4=CC=CC=C4C3)OC5C(C(C(C(O5)CO)O)O)O

*Isomeric Smiles

COC1=C(C=C2CCN[C@H]3C2=C1C4=CC=CC=C4C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

*XLogP

0.8

*Hydrogen bond donor

5

*Hydrogen bond acceptor

8

*Rotational Bond Count

4

*Topological Polar Surface Area

121

External Links

Link to BIAdb Database

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