GD032917

Name:

None

Formula:

C52H62O18N2Br2

Smiles:

CCCCCCCC(c1cn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c2ccc(Br)cc12)c1cn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c2ccc(Br)cc12

Aglycone:

CCCCCCCC(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1OC(O)OC(O)C1OC(C)=O.CC(=O)OCC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL3347595

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

AD17406

Formula: C24H26N2Br2

Smiles:

CCCCCCCC(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12

HBA:	2	RingCount:	4
HBD:	2	FractionCSP3:	0.33
AlogP:	8.67	Num_rotatable_bonds:	8
MolWt:	502.29	Num_heavy_atoms:	28
TPSA:	31.58	NumAromaticRings:	4