GD037261

Name:

None

Formula:

C34H56O14N8S

Smiles:

NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3O[C@H](CNC(=O)CCC(=O)N[C@H](Cc4ccccc4)C(=O)N[C@H](CS)C(N)=O)[C@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CNC(=O)CCC(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(N)=O.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:

NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4752365

AD00009

Formula: C6H14O3N2

Smiles:

NC1CC(N)C(O)C(O)C1O

HBA:	5	RingCount:	1
HBD:	7	FractionCSP3:	1.0
AlogP:	-2.87	Num_rotatable_bonds:	0
MolWt:	162.19	Num_heavy_atoms:	11
TPSA:	112.73	NumAromaticRings:	0

AD23485

Formula: C17H24O4N4S

Smiles:

CNC(=O)CCC(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(N)=O

HBA:	8	RingCount:	1
HBD:	5	FractionCSP3:	0.41
AlogP:	-0.86	Num_rotatable_bonds:	10
MolWt:	380.47	Num_heavy_atoms:	26
TPSA:	130.39	NumAromaticRings:	1