GD109015

Name:

None

Formula:

C33H38O13N2

Smiles:

CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1O[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• ZINC000215967598

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

AD44506

Formula: C19H19O5N

Smiles:

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

HBA:	6	RingCount:	3
HBD:	3	FractionCSP3:	0.26
AlogP:	2.36	Num_rotatable_bonds:	5
MolWt:	341.36	Num_heavy_atoms:	25
TPSA:	95.86	NumAromaticRings:	2