GD032821

Name:

None

Formula:

C67H95O26N10S2I

Smiles:

C[C@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H]2O)C(=O)N[C@H](Cc2ccc(O)c([123I])c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N1

Aglycone:

CNC(Cc1ccccc1)C(=O)NC1CSSCC(C(=O)NC(CO)C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)c(I)c2)NC1=O

Sugarmoiety:

OCC1OC(OC2C(CO)OC(OC3C(O)COC(O)(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3144282

AD05279

Formula: C50H67O11N10S2I

Smiles:

CNC(Cc1ccccc1)C(=O)NC1CSSCC(C(=O)NC(CO)C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)c(I)c2)NC1=O

HBA:	21	RingCount:	5
HBD:	15	FractionCSP3:	0.46
AlogP:	-0.23	Num_rotatable_bonds:	18
MolWt:	1175.18	Num_heavy_atoms:	74
TPSA:	338.46	NumAromaticRings:	4