GD005177

Name:

None

Formula:

C33H60O10N8S2

Smiles:

CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(=O)N[C@H](CCSC)C(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CSCCC(NC(=O)C(CCSC)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1CCCCC1)NC(C)=O)C(N)=O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL304835
• CHEMBL67028

AD04422

Formula: C27H50O5N8S2

Smiles:

CSCCC(NC(=O)C(CCSC)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1CCCCC1)NC(C)=O)C(N)=O

HBA:	13	RingCount:	1
HBD:	10	FractionCSP3:	0.78
AlogP:	-0.04	Num_rotatable_bonds:	20
MolWt:	630.88	Num_heavy_atoms:	42
TPSA:	223.89	NumAromaticRings:	0