GD020065

Name:

None

Formula:

C30H34O11N4S

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2cc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.Cc1ccc(N(CC2=C[N]N=N2)S(=O)(=O)c2ccccc2)cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL4090865

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

AD05236

Formula: C16H15O2N4S

Smiles:

Cc1ccc(N(CC2=C[N]N=N2)S(=O)(=O)c2ccccc2)cc1

HBA:	6	RingCount:	3
HBD:	0	FractionCSP3:	0.12
AlogP:	3.02	Num_rotatable_bonds:	5
MolWt:	327.39	Num_heavy_atoms:	23
TPSA:	76.2	NumAromaticRings:	2