GD114077

Name:

None

Formula:

C35H53O12N

Smiles:

CCCCCCCCCCCCCCCc1cc(O[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)ccc1[N+](=O)[O-]

Aglycone:

CCCCCCCCCCCCCCCc1cc(O)ccc1[N+](=O)[O-].COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000150363922

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

AD44853

Formula: C21H35O3N

Smiles:

CCCCCCCCCCCCCCCc1cc(O)ccc1[N+](=O)[O-]

HBA:	4	RingCount:	1
HBD:	1	FractionCSP3:	0.71
AlogP:	6.93	Num_rotatable_bonds:	15
MolWt:	349.51	Num_heavy_atoms:	25
TPSA:	63.37	NumAromaticRings:	1