GD003146

Name:

None

Formula:

C28H38O8N2S

Smiles:

CC(C)[C@H](C)C(=O)NC(=O)[C@H]([O-])[C@H](O)[C@H](O)[C@H](Oc1ccc(C2=CC=[S+]C2)cc1)C(=O)NC(=O)[C@H](C)C(C)C

Aglycone:

C1=[S+]CC(c2ccccc2)=C1.CC(C)C(C)C(N)=O.CC(C)C(C)C(N)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL365756

AD02889

Formula: C10H9S

Smiles:

C1=[S+]CC(c2ccccc2)=C1

HBA:	0	RingCount:	2
HBD:	0	FractionCSP3:	0.1
AlogP:	1.97	Num_rotatable_bonds:	1
MolWt:	161.25	Num_heavy_atoms:	11
TPSA:	0.0	NumAromaticRings:	1

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