GD035536

Name:

None

Formula:

C47H69O14N15S

Smiles:

CSCC[C@H](NC(=O)C=NO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(N)=O

Aglycone:

CSCCC(NC(=O)C=NO)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(C)C(N)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4285892
• CHEMBL4290356

AD22477

Formula: C41H59O9N15S

Smiles:

CSCCC(NC(=O)C=NO)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(C)C(N)=O

HBA:	24	RingCount:	4
HBD:	15	FractionCSP3:	0.49
AlogP:	-2.42	Num_rotatable_bonds:	25
MolWt:	938.09	Num_heavy_atoms:	66
TPSA:	376.96	NumAromaticRings:	3