GD017322

Name:

None

Formula:

C37H45O14N5

Smiles:

O=C(C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)N[C@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O

Aglycone:

CNC(=O)C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)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

• CHEMBL1644888

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

AD12368

Formula: C23H27O4N3

Smiles:

CNC(=O)C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(C)=O

HBA:	7	RingCount:	3
HBD:	3	FractionCSP3:	0.35
AlogP:	2.56	Num_rotatable_bonds:	8
MolWt:	409.49	Num_heavy_atoms:	30
TPSA:	96.53	NumAromaticRings:	2