BIAdb Alangiside 1104

BIAdb Alangiside 1104
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	442161
Chemical data
Formula	C₂₅H₃₁NO₁₀
Mol. mass	505.51434
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Alangium lamarckii

Anthelmintic

*Molecular Weight

505.51434

*Exact Mass

505.194796

*Molecular Formula

C₂₅H₃₁NO₁₀

*IUPAC NAME

N/A

*Canonical Smiles

COC1=C(C=C2C3CC4C(C(OC=C4C(=O)N3CCC2=C1)OC5C(C(C(C(O5)CO)O)O)O)C=C)O

*Isomeric Smiles

COC1=C(C=C2[C@H]3C[C@H]4[C@H]([C@@H](OC=C4C(=O)N3CCC2=C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C)O

*XLogP

-0.1

*Hydrogen bond donor

5

*Hydrogen bond acceptor

10

*Rotational Bond Count

5

*Topological Polar Surface Area

158