GD089185

Name:

None

Formula:

C16H23O10N3S

Smiles:

CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](NC(=S)N(C)N=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CN(N=O)C(N)=S.COC(C)=O

Sugarmoiety:

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

• ZINC000005706417

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

AD38936

Formula: C2H5ON3S

Smiles:

CN(N=O)C(N)=S

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.5
AlogP:	-0.16	Num_rotatable_bonds:	1
MolWt:	119.15	Num_heavy_atoms:	7
TPSA:	58.69	NumAromaticRings:	0