GD022765

Name:

None

Formula:

C22H30O18N2P2

Smiles:

COc1ccc(-c2cn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O[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)cc1

Aglycone:

COP(=O)(O)OP(=O)(O)O.COc1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL2070377

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

AD15396

Formula: C11H10O3N2

Smiles:

COc1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.09
AlogP:	0.74	Num_rotatable_bonds:	2
MolWt:	218.21	Num_heavy_atoms:	16
TPSA:	74.95	NumAromaticRings:	2