GD023427

Name:

None

Formula:

C42H60O17N6S

Smiles:

CSCC[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)C[C@H]1C(N)=O

Aglycone:

CSCCC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)N1CC(O)CC1C(N)=O

Sugarmoiety:

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4083712
• CHEMBL4101712

AD06241

Formula: C30H40O7N6S

Smiles:

CSCCC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)N1CC(O)CC1C(N)=O

HBA:	13	RingCount:	3
HBD:	9	FractionCSP3:	0.43
AlogP:	-1.21	Num_rotatable_bonds:	15
MolWt:	628.75	Num_heavy_atoms:	44
TPSA:	217.18	NumAromaticRings:	2