GD106535

Name:

None

Formula:

C18H21O11N2I

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=c1[nH]cc(I)c(=O)[nH]1

Sugarmoiety:

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

Other Identifiers

• ZINC000005840282

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

AD00569

Formula: C4H3O2N2I

Smiles:

O=c1[nH]cc(I)c(=O)[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.33	Num_rotatable_bonds:	0
MolWt:	237.98	Num_heavy_atoms:	9
TPSA:	65.72	NumAromaticRings:	1