GD021991

Name:

None

Formula:

C18H26O22N2P4Cl2

Smiles:

O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)OP(=O)(O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(=O)[nH]1

Aglycone:

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

Sugarmoiety:

OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1784901

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

AD14963

Formula: C4H8O12P4Cl2

Smiles:

COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)OP(=O)(O)O

HBA:	12	RingCount:	0
HBD:	5	FractionCSP3:	1.0
AlogP:	1.32	Num_rotatable_bonds:	7
MolWt:	418.88	Num_heavy_atoms:	20
TPSA:	197.12	NumAromaticRings:	0