GD027615

Name:

None

Formula:

C34H55O35N5S4

Smiles:

CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@H](C(=O)O)O[C@H](O[C@H]3[C@H](OS(=O)(=O)O)[C@@H](COS(=O)(=O)O)O[C@@H](OCCCCCCN=[N+]=[N-])[C@H]3NC(C)=O)[C@H](O)[C@H]2O)O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

COS(=O)(=O)O.COS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O.[N-]=[N+]=NCCCCCCO

Sugarmoiety:

CC(=O)NC1C(O)OC(O)OC1OC1OC(C(=O)O)C(OC2OC(CO)C(O)C(OC3OC(C(=O)O)C(O)C(O)C3O)C2NC(C)=O)C(O)C1O

Other Identifiers

• CHEMBL4436421

AD00034

Formula: H2O4S

Smiles:

O=S(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.65	Num_rotatable_bonds:	0
MolWt:	98.08	Num_heavy_atoms:	5
TPSA:	74.6	NumAromaticRings:	0

AD00053

Formula: CH4O4S

Smiles:

COS(=O)(=O)O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	-0.56	Num_rotatable_bonds:	1
MolWt:	112.11	Num_heavy_atoms:	6
TPSA:	63.6	NumAromaticRings:	0

AD05617

Formula: C6H13ON3

Smiles:

[N-]=[N+]=NCCCCCCO

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	1.85	Num_rotatable_bonds:	6
MolWt:	143.19	Num_heavy_atoms:	10
TPSA:	68.99	NumAromaticRings:	0