GD099047

Name:

None

Formula:

C21H26O9N5

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cc(-n3ccc(C[NH3+])cc3=N)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.N=c1cc(C[NH3+])ccn1-c1c[nH]c(=O)[nH]c1=O

Sugarmoiety:

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

Other Identifiers

• ZINC001167693226

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

AD42164

Formula: C10H12O2N5

Smiles:

N=c1cc(C[NH3+])ccn1-c1c[nH]c(=O)[nH]c1=O

HBA:	7	RingCount:	2
HBD:	6	FractionCSP3:	0.1
AlogP:	-1.92	Num_rotatable_bonds:	2
MolWt:	234.24	Num_heavy_atoms:	17
TPSA:	122.14	NumAromaticRings:	2