GD017363

Name:

None

Formula:

C51H51O20N3Br2

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2cc(C(c3ccc([N+](=O)[O-])cc3)c3cn([C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)c4ccc(Br)cc34)c3cc(Br)ccc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.O=[N+]([O-])c1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3347594

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

AD06794

Formula: C23H15O2N3Br2

Smiles:

O=[N+]([O-])c1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1

HBA:	5	RingCount:	5
HBD:	2	FractionCSP3:	0.04
AlogP:	7.26	Num_rotatable_bonds:	4
MolWt:	525.2	Num_heavy_atoms:	30
TPSA:	74.72	NumAromaticRings:	5