GD106064

Name:

None

Formula:

C18H44O12N5S

Smiles:

[NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3OS(O)(O)O)[C@H]2O)[C@H]([NH3+])C[C@@H]1O

Aglycone:

OS(O)(O)O.[NH3+]CC1OC(OC2C([NH3+])CC([NH3+])C(O)C2O)C([NH3+])CC1O

Sugarmoiety:

[NH3+]C1C(O)C(O)OC(CO)C1O

Other Identifiers

• ZINC000334163680

AD24829

Formula: H4O4S

Smiles:

OS(O)(O)O

HBA:	4	RingCount:	0
HBD:	4	FractionCSP3:	0.0
AlogP:	0.68	Num_rotatable_bonds:	0
MolWt:	100.09	Num_heavy_atoms:	5
TPSA:	80.92	NumAromaticRings:	0

AD40417

Formula: C12H30O5N4

Smiles:

[NH3+]CC1OC(OC2C([NH3+])CC([NH3+])C(O)C2O)C([NH3+])CC1O

HBA:	9	RingCount:	2
HBD:	15	FractionCSP3:	1.0
AlogP:	-6.95	Num_rotatable_bonds:	3
MolWt:	310.4	Num_heavy_atoms:	21
TPSA:	189.71	NumAromaticRings:	0