GD108539

Name:

None

Formula:

C32H39O19NS

Smiles:

CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Sc3ccc([N+](=O)[O-])cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.O=[N+]([O-])c1ccc(S)cc1

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

• ZINC000169722642

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

AD11065

Formula: C6H5O2NS

Smiles:

O=[N+]([O-])c1ccc(S)cc1

HBA:	3	RingCount:	1
HBD:	0	FractionCSP3:	0.0
AlogP:	1.88	Num_rotatable_bonds:	1
MolWt:	155.18	Num_heavy_atoms:	10
TPSA:	43.14	NumAromaticRings:	1