BIAdb BRN 5233750 1615

BIAdb BRN 5233750 1615
Systematic (IUPAC) name
[4,5-diacetyloxy-6-(acetyloxymethyl)-2-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)amino]oxan-3-yl] acetate
Identifiers
CAS number	?
ATC code	?
PubChem	47957
Chemical data
Formula	C₃₄H₄₁NO₁₃S
Mol. mass	703.75324
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

703.75324

*Exact Mass

703.229861

*Molecular Formula

C₃₄H₄₁NO₁₃S

*IUPAC NAME

[4,5-diacetyloxy-6-(acetyloxymethyl)-2-[(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)amino]oxan-3-yl] acetate

*Canonical Smiles

CC(=O)OCC1C(C(C(C(O1)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC)OC(=O)C)OC(=O)C)OC(=O)C

*Isomeric Smiles

N/A

*XLogP

1.5

*Hydrogen bond donor

1

*Hydrogen bond acceptor

14

*Rotational Bond Count

15

*Topological Polar Surface Area

171