GD099049

Name:

None

Formula:

C20H31O8N4

Smiles:

CC(=O)OC[C@H]1O[C@H](O)[C@H](n2cc(C3CC[NH+](C)CC3)nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.C[NH+]1CCC(C2=C[N]N=N2)CC1

Sugarmoiety:

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

Other Identifiers

• ZINC001254113668

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

AD29073

Formula: C8H14N4

Smiles:

C[NH+]1CCC(C2=C[N]N=N2)CC1

HBA:	4	RingCount:	2
HBD:	1	FractionCSP3:	0.75
AlogP:	-0.26	Num_rotatable_bonds:	1
MolWt:	166.23	Num_heavy_atoms:	12
TPSA:	43.26	NumAromaticRings:	0