GD033253

Name:

None

Formula:

C51H80O18N12S3

Smiles:

CC(=O)N[C@@H]1[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(=O)CCSSCCNC(=O)C(CCCCNC(=O)CCCCC2SCC3NC(=O)NC32)NC(=O)c2ccc(N=[NH+][NH-])cc2)[C@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H]2N=C(N(C)C)O[C@H]2[C@H]1CO

Aglycone:

CN(C)C1=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

• CHEMBL1813422

AD01895

Formula: C9H16O4N2

Smiles:

CN(C)C1=NC2C(O)C(O)C(CO)C2O1

HBA:	6	RingCount:	2
HBD:	3	FractionCSP3:	0.89
AlogP:	-1.98	Num_rotatable_bonds:	1
MolWt:	216.24	Num_heavy_atoms:	15
TPSA:	85.52	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