GD107115

Name:

None

Formula:

C28H31O13N

Smiles:

CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2CC(=O)C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C1CC(O)C2C(=O)N(c3ccccc3)C(=O)C2C1

Sugarmoiety:

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

Other Identifiers

• ZINC000008652791

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

AD44276

Formula: C14H13O4N

Smiles:

O=C1CC(O)C2C(=O)N(c3ccccc3)C(=O)C2C1

HBA:	5	RingCount:	3
HBD:	1	FractionCSP3:	0.36
AlogP:	0.52	Num_rotatable_bonds:	1
MolWt:	259.26	Num_heavy_atoms:	19
TPSA:	74.68	NumAromaticRings:	1