GD106635

Name:

None

Formula:

C20H29O13N3

Smiles:

CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](N[C@@H]2CC[C@H]([N+](=O)[O-])C[C@@H]2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.NC1CCC([N+](=O)[O-])CC1[N+](=O)[O-]

Sugarmoiety:

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

Other Identifiers

• ZINC000033714197

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

AD44191

Formula: C6H11O4N3

Smiles:

NC1CCC([N+](=O)[O-])CC1[N+](=O)[O-]

HBA:	7	RingCount:	1
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.21	Num_rotatable_bonds:	2
MolWt:	189.17	Num_heavy_atoms:	13
TPSA:	112.3	NumAromaticRings:	0