GD004486

Name:

None

Formula:

C61H83O22N10S2I

Smiles:

C[C@H](O)[C@H](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](O)[C@H]3O)[C@H]2O)C(=O)N[C@H](Cc2ccc(O)c(I)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)C(=O)O

Aglycone:

CNC(Cc1ccccc1)C(=O)NC1CSSCC(C(=O)NC(C(=O)O)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(O)COC(O)(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3144285

AD03912

Formula: C50H65O12N10S2I

Smiles:

CNC(Cc1ccccc1)C(=O)NC1CSSCC(C(=O)NC(C(=O)O)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:	22	RingCount:	5
HBD:	15	FractionCSP3:	0.44
AlogP:	-0.14	Num_rotatable_bonds:	18
MolWt:	1189.17	Num_heavy_atoms:	75
TPSA:	355.53	NumAromaticRings:	4