GD021088

Name:

None

Formula:

C50H78O18N12S3

Smiles:

CNC1=N[C@H]2[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]4NC(=O)CCSSCCNC(=O)C(CCCCNC(=O)CCCCC4SCC5NC(=O)NC54)NC(=O)c4ccc(N=[NH+][NH-])cc4)[C@H](O)[C@H]3NC(C)=O)[C@@H](CO)[C@H]2O1

Aglycone:

CNC1=NC2C(O)C(O)C(CO)C2O1.[NH-][NH+]=Nc1ccc(C(=O)NC(CCCCNC(=O)CCCCC2SCC3NC(=O)NC32)C(=O)NCCSSCCC(N)=O)cc1

Sugarmoiety:

CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL1813428

AD06968

Formula: C8H14O4N2

Smiles:

CNC1=NC2C(O)C(O)C(CO)C2O1

HBA:	6	RingCount:	2
HBD:	4	FractionCSP3:	0.88
AlogP:	-2.33	Num_rotatable_bonds:	1
MolWt:	202.21	Num_heavy_atoms:	14
TPSA:	94.31	NumAromaticRings:	0

AD14464

Formula: C28H43O5N9S3

Smiles:

[NH-][NH+]=Nc1ccc(C(=O)NC(CCCCNC(=O)CCCCC2SCC3NC(=O)NC32)C(=O)NCCSSCCC(N)=O)cc1

HBA:	14	RingCount:	3
HBD:	9	FractionCSP3:	0.61
AlogP:	1.3	Num_rotatable_bonds:	21
MolWt:	681.91	Num_heavy_atoms:	45
TPSA:	221.65	NumAromaticRings:	1