GD002546

Name:

None

Formula:

C28H26O11N2Br2

Smiles:

CC(=O)OCC1OC(n2c(=O)n(-c3ccccc3)c(=O)c3cc(Br)cc(Br)c32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O.O=c1[nH]c2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL1974183

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD02420

Formula: C14H8O2N2Br2

Smiles:

O=c1[nH]c2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1

HBA:	4	RingCount:	3
HBD:	1	FractionCSP3:	0.0
AlogP:	3.2	Num_rotatable_bonds:	1
MolWt:	396.04	Num_heavy_atoms:	20
TPSA:	54.86	NumAromaticRings:	3