GD105749

Name:

None

Formula:

C26H32O16N2S

Smiles:

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)[C@@H]2SC1

Aglycone:

CC(=O)OCC1=C(C(=O)O)N2C(=O)C(N)C2SC1

Sugarmoiety:

CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)O

Other Identifiers

• ZINC000150350945

AD44070

Formula: C10H12O5N2S

Smiles:

CC(=O)OCC1=C(C(=O)O)N2C(=O)C(N)C2SC1

HBA:	7	RingCount:	2
HBD:	3	FractionCSP3:	0.5
AlogP:	-0.87	Num_rotatable_bonds:	3
MolWt:	272.28	Num_heavy_atoms:	18
TPSA:	109.93	NumAromaticRings:	0