GD017440

Name:

None

Formula:

C18H25O17N5P2

Smiles:

CC(=O)O[C@@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)OC[C@@H](N=[N+]=[N-])[C@H]1OC(C)=O

Aglycone:

COP(=O)(O)OP(=O)(O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

CC(=O)OC1OOCC(N=[N+]=[N-])C1OC(C)=O.OCC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL609434

AD00106

Formula: C4H4O2N2

Smiles:

O=c1cc[nH]c(=O)[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.94	Num_rotatable_bonds:	0
MolWt:	112.09	Num_heavy_atoms:	8
TPSA:	65.72	NumAromaticRings:	1

AD00305

Formula: CH6O7P2

Smiles:

COP(=O)(O)OP(=O)(O)O

HBA:	7	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	-0.16	Num_rotatable_bonds:	3
MolWt:	192.0	Num_heavy_atoms:	10
TPSA:	113.29	NumAromaticRings:	0