GD109822

Name:

None

Formula:

C28H28O10N4S

Smiles:

COc1ccc(-c2c(C#N)c(N)n([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1

Aglycone:

COC(C)=O.COc1ccc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)cc1

Sugarmoiety:

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

Other Identifiers

• ZINC000005540518

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

AD05141

Formula: C14H10ON4S

Smiles:

COc1ccc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)cc1

HBA:	5	RingCount:	2
HBD:	3	FractionCSP3:	0.07
AlogP:	2.75	Num_rotatable_bonds:	2
MolWt:	282.33	Num_heavy_atoms:	20
TPSA:	98.62	NumAromaticRings:	2