GD107813

Name:

None

Formula:

C33H36O14N2

Smiles:

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

Aglycone:

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

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• ZINC000255989313

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

AD44349

Formula: C19H18O5N2

Smiles:

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

HBA:	7	RingCount:	3
HBD:	4	FractionCSP3:	0.21
AlogP:	1.85	Num_rotatable_bonds:	6
MolWt:	354.36	Num_heavy_atoms:	26
TPSA:	118.72	NumAromaticRings:	2