GD009351

Name:

None

Formula:

C30H61O11N5S

Smiles:

CCCCCCCCCCCCS(=O)(=O)C[C@@H]1O[C@H](O[C@H]2[C@H](N)C[C@@H](N)[C@@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@H](O)[C@H](N)[C@H]1O

Aglycone:

CCCCCCCCCCCCS(C)(=O)=O.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:

NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(N)C(O)C1O

Other Identifiers

• CHEMBL4299518

AD00009

Formula: C6H14O3N2

Smiles:

NC1CC(N)C(O)C(O)C1O

HBA:	5	RingCount:	1
HBD:	7	FractionCSP3:	1.0
AlogP:	-2.87	Num_rotatable_bonds:	0
MolWt:	162.19	Num_heavy_atoms:	11
TPSA:	112.73	NumAromaticRings:	0

AD07337

Formula: C13H28O2S

Smiles:

CCCCCCCCCCCCS(C)(=O)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	1.0
AlogP:	3.95	Num_rotatable_bonds:	11
MolWt:	248.43	Num_heavy_atoms:	16
TPSA:	34.14	NumAromaticRings:	0