GD105680

Name:

None

Formula:

C15H26O18N2P2

Smiles:

O=C(O)[C@H]1O[C@H](O[PH](O)(O)O[PH](O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

Aglycone:

CO[PH](O)(O)O[PH](O)(O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

O=C(O)C1OOC(O)C(O)C1O.OCC1OC(O)C(O)C1O

Other Identifiers

• ZINC000008215691

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

AD36283

Formula: CH10O7P2

Smiles:

CO[PH](O)(O)O[PH](O)(O)O

HBA:	7	RingCount:	0
HBD:	5	FractionCSP3:	1.0
AlogP:	-1.57	Num_rotatable_bonds:	3
MolWt:	196.03	Num_heavy_atoms:	10
TPSA:	119.61	NumAromaticRings:	0