GD021042

Name:

None

Formula:

C38H44O18N4S

Smiles:

CC(=O)OC[C@@H]1O[C@H](Sc2nc(-c3cc4ccccc4[nH]3)nn2[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.SC1=NC(c2cc3ccccc3[nH]2)=N[N]1

Sugarmoiety:

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

Other Identifiers

• CHEMBL2408854

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

AD14437

Formula: C10H7N4S

Smiles:

SC1=NC(c2cc3ccccc3[nH]2)=N[N]1

HBA:	4	RingCount:	3
HBD:	1	FractionCSP3:	0.0
AlogP:	1.73	Num_rotatable_bonds:	1
MolWt:	215.26	Num_heavy_atoms:	15
TPSA:	54.61	NumAromaticRings:	2