GD002252

Name:

None

Formula:

C21H28O17N2P2

Smiles:

O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=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)cc1-c1ccccc1

Aglycone:

COP(=O)(O)OP(=O)(O)O.O=c1[nH]cc(-c2ccccc2)c(=O)[nH]1

Sugarmoiety:

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

Other Identifiers

• CHEMBL2070375

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

AD02171

Formula: C10H8O2N2

Smiles:

O=c1[nH]cc(-c2ccccc2)c(=O)[nH]1

HBA:	4	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	0.73	Num_rotatable_bonds:	1
MolWt:	188.19	Num_heavy_atoms:	14
TPSA:	65.72	NumAromaticRings:	2