BIAdb Berberal 1325

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BIAdb Berberal 1325
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	9424
Chemical data
Formula	C40H36N2O12S
Mol. mass	768.78504
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

[edit] Description

[edit] Source

Hydrastis canadensis

[edit] Function

Antifungal

[edit] General Properties

*Molecular Weight

768.78504

*Exact Mass

768.198895

*Molecular Formula

C₄₀H₃₆N₂O₁₂S

*IUPAC NAME

N/A

*Canonical Smiles

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-]

*Isomeric Smiles

N/A

*XLogP

N/A

*Hydrogen bond donor

0

*Hydrogen bond acceptor

12

*Rotational Bond Count

4

*Topological Polar Surface Area

162

[edit] External Links

• Pubchem

Link to BIAdb Database