GD113615

Name:

None

Formula:

C37H26O10N2Br2

Smiles:

O=C(OC[C@H]1O[C@H](n2ccc(=O)n(C(=O)c3ccc(Br)cc3)c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccc(Br)cc1

Aglycone:

COC(=O)c1ccc(Br)cc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(c1ccc(Br)cc1)n1c(=O)cc[nH]c1=O

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• ZINC000098048069

AD00002

Formula: C7H6O2

Smiles:

O=C(O)c1ccccc1

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.0
AlogP:	1.38	Num_rotatable_bonds:	1
MolWt:	122.12	Num_heavy_atoms:	9
TPSA:	37.3	NumAromaticRings:	1

AD09270

Formula: C8H7O2Br

Smiles:

COC(=O)c1ccc(Br)cc1

HBA:	2	RingCount:	1
HBD:	0	FractionCSP3:	0.12
AlogP:	2.24	Num_rotatable_bonds:	1
MolWt:	215.05	Num_heavy_atoms:	11
TPSA:	26.3	NumAromaticRings:	1

AD44818

Formula: C11H7O3N2Br

Smiles:

O=C(c1ccc(Br)cc1)n1c(=O)cc[nH]c1=O

HBA:	5	RingCount:	2
HBD:	1	FractionCSP3:	0.0
AlogP:	0.99	Num_rotatable_bonds:	1
MolWt:	295.09	Num_heavy_atoms:	17
TPSA:	71.93	NumAromaticRings:	2