GD001730

Name:

None

Formula:

C29H34O11N7P

Smiles:

C[C@H](NP(=O)(N[C@H](C)C(=O)OCc1ccccc1)OC[C@]1(N=[N+]=[N-])O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)C(=O)OCc1ccccc1

Aglycone:

COP(=O)(NC(C)C(=O)OCc1ccccc1)NC(C)C(=O)OCc1ccccc1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

[N-]=[N+]=NC1(O)OC(O)C(O)C1O

Other Identifiers

• CHEMBL3086964

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

AD01703

Formula: C21H27O6N2P

Smiles:

COP(=O)(NC(C)C(=O)OCc1ccccc1)NC(C)C(=O)OCc1ccccc1

HBA:	8	RingCount:	2
HBD:	2	FractionCSP3:	0.33
AlogP:	3.18	Num_rotatable_bonds:	11
MolWt:	434.43	Num_heavy_atoms:	30
TPSA:	102.96	NumAromaticRings:	2