BIAdb CID43632 1753

BIAdb CID43632 1753
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	43632
Chemical data
Formula	C₂₇H₃₁NO₁₂
Mol. mass	561.53454
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

561.53454

*Exact Mass

561.184625

*Molecular Formula

C₂₇H₃₁NO₁₂

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)OC(=O)COC)OC(=O)COC.C(C(C(=O)O)O)(C(=O)O)O

*Isomeric Smiles

CN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)OC(=O)COC)OC(=O)COC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

*XLogP

N/A

*Hydrogen bond donor

4

*Hydrogen bond acceptor

13

*Rotational Bond Count

11

*Topological Polar Surface Area

189