GD112103

Name:

None

Formula:

C36H35O16N

Smiles:

CC(=O)OC[C@H]1O[C@H](Oc2cc(O)c(C(=O)CCc3ccc([N+](=O)[O-])cc3)c(OC(=O)c3ccccc3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C(Oc1cc(O)cc(O)c1C(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccccc1

Sugarmoiety:

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

Other Identifiers

• ZINC000150663660

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

AD44752

Formula: C22H17O7N

Smiles:

O=C(Oc1cc(O)cc(O)c1C(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccccc1

HBA:	8	RingCount:	3
HBD:	2	FractionCSP3:	0.09
AlogP:	4.04	Num_rotatable_bonds:	7
MolWt:	407.38	Num_heavy_atoms:	30
TPSA:	126.97	NumAromaticRings:	3