GD012042

Name:

None

Formula:

C22H33O13N5

Smiles:

NC(=O)CC[C@H](NC(=O)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)NC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O

Aglycone:

CNC(=O)C(CCC(N)=O)NC(C)=O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1644889

AD00106

Formula: C4H4O2N2

Smiles:

O=c1cc[nH]c(=O)[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.94	Num_rotatable_bonds:	0
MolWt:	112.09	Num_heavy_atoms:	8
TPSA:	65.72	NumAromaticRings:	1

AD09107

Formula: C8H15O3N3

Smiles:

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

HBA:	6	RingCount:	0
HBD:	4	FractionCSP3:	0.62
AlogP:	-1.5	Num_rotatable_bonds:	5
MolWt:	201.23	Num_heavy_atoms:	14
TPSA:	101.29	NumAromaticRings:	0