GD107818

Name:

None

Formula:

C32H36O13N2

Smiles:

CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C(NC(CO)C(=O)O)OCC1c2ccccc2-c2ccccc21

Sugarmoiety:

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• ZINC000097973112

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD44351

Formula: C18H17O5N

Smiles:

O=C(NC(CO)C(=O)O)OCC1c2ccccc2-c2ccccc21

HBA:	6	RingCount:	3
HBD:	3	FractionCSP3:	0.22
AlogP:	1.97	Num_rotatable_bonds:	5
MolWt:	327.34	Num_heavy_atoms:	24
TPSA:	95.86	NumAromaticRings:	2