GD027695

Name:

None

Formula:

C22H28O17N2P2S

Smiles:

O=Cc1ccc(-c2cn([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])CC[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c(=O)[nH]c2=O)s1

Aglycone:

CCP(=O)([O-])OP(=O)([O-])OC.O=Cc1ccc(-c2c[nH]c(=O)[nH]c2=O)s1

Sugarmoiety:

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

Other Identifiers

• CHEMBL2070381

AD07598

Formula: C9H6O3N2S

Smiles:

O=Cc1ccc(-c2c[nH]c(=O)[nH]c2=O)s1

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	0.6	Num_rotatable_bonds:	2
MolWt:	222.22	Num_heavy_atoms:	15
TPSA:	82.79	NumAromaticRings:	2

AD18174

Formula: C3H8O6P2

Smiles:

CCP(=O)([O-])OP(=O)([O-])OC

HBA:	6	RingCount:	0
HBD:	0	FractionCSP3:	1.0
AlogP:	-0.31	Num_rotatable_bonds:	4
MolWt:	202.04	Num_heavy_atoms:	11
TPSA:	98.72	NumAromaticRings:	0