GD016124

Name:

None

Formula:

C27H37O8N3S

Smiles:

CC(C)[C@H](C)C(=O)NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](Oc1ccc(-c2nccs2)cc1)C(=O)NC(=O)[C@H](C)C(C)C

Aglycone:

CC(C)C(C)C(N)=O.CC(C)C(C)C(N)=O.c1ccc(-c2nccs2)cc1

Sugarmoiety:

O=C(O)C(O)C(O)C(O)C(OO)C(=O)O

Other Identifiers

• CHEMBL1161738

AD02890

Formula: C6H13ON

Smiles:

CC(C)C(C)C(N)=O

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.83
AlogP:	0.76	Num_rotatable_bonds:	2
MolWt:	115.18	Num_heavy_atoms:	8
TPSA:	43.09	NumAromaticRings:	0

AD11647

Formula: C9H7NS

Smiles:

c1ccc(-c2nccs2)cc1

HBA:	1	RingCount:	2
HBD:	0	FractionCSP3:	0.0
AlogP:	2.81	Num_rotatable_bonds:	1
MolWt:	161.23	Num_heavy_atoms:	11
TPSA:	12.89	NumAromaticRings:	2