GD035461

Name:

None

Formula:

C18H20O13N4

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2c(=O)[nH]c(=O)c3c2no[n+]3[O-])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=c1[nH]c(=O)c2c(no[n+]2[O-])[nH]1

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL3357916

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD06942

Formula: C4H2O4N4

Smiles:

O=c1[nH]c(=O)c2c(no[n+]2[O-])[nH]1

HBA:	8	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	-2.16	Num_rotatable_bonds:	0
MolWt:	170.08	Num_heavy_atoms:	12
TPSA:	118.69	NumAromaticRings:	2