BIAdb BERBERINE DERIV JCI 2222 1492

BIAdb BERBERINE DERIV JCI 2222 1492
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	5384331
Chemical data
Formula	C₂₇H₂₅NO₁₀
Mol. mass	523.4881
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

523.4881

*Exact Mass

523.147846

*Molecular Formula

C₂₇H₂₅NO₁₀

*IUPAC NAME

N/A

*Canonical Smiles

COC1=C(C2=C(C=C1)C(=O)N3CCC4=CC5=C(C=C4C3=C(C(=C2OC)C(=O)OC)C(=O)OC)OCO5)OC

*Isomeric Smiles

COC1=C(C/2=C(C=C1)C(=O)N3CCC4=CC5=C(C=C4/C3=C(/C(=C2/OC)/C(=O)OC)C(=O)OC)OCO5)OC

*XLogP

2.6

*Hydrogen bond donor

0

*Hydrogen bond acceptor

10

*Rotational Bond Count

7

*Topological Polar Surface Area

119