GD032444

Name:

None

Formula:

C34H49O15N4PS3

Smiles:

CC(=O)O[C@@H]1[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)O[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C.NS(=O)(=O)c1ccc(C2=C[N]N=N2)cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3613284

AD01018

Formula: C8H7O2N4S

Smiles:

NS(=O)(=O)c1ccc(C2=C[N]N=N2)cc1

HBA:	6	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	0.62	Num_rotatable_bonds:	2
MolWt:	223.24	Num_heavy_atoms:	15
TPSA:	98.98	NumAromaticRings:	1

AD01206

Formula: C15H29O6PS2

Smiles:

COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C

HBA:	6	RingCount:	0
HBD:	0	FractionCSP3:	0.87
AlogP:	4.39	Num_rotatable_bonds:	9
MolWt:	400.5	Num_heavy_atoms:	24
TPSA:	78.9	NumAromaticRings:	0