BIAdb Hernandalinol 2267

BIAdb Hernandalinol 2267
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	6454477
Chemical data
Formula	C₂₉H₃₃NO₇
Mol. mass	507.57482
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

507.57482

*Exact Mass

507.225702

*Molecular Formula

C₂₉H₃₃NO₇

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CO)OC)OC)OC)OC

*Isomeric Smiles

CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CO)OC)OC)OC)OC

*XLogP

4

*Hydrogen bond donor

1

*Hydrogen bond acceptor

8

*Rotational Bond Count

8

*Topological Polar Surface Area

78.9