GD092083

Name:

None

Formula:

C19H24O9N3

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cc(C3=CC[NH2+]C3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.O=c1[nH]cc(C2=CC[NH2+]C2)c(=O)[nH]1

Sugarmoiety:

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

Other Identifiers

• ZINC001243116130

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

AD40204

Formula: C8H10O2N3

Smiles:

O=c1[nH]cc(C2=CC[NH2+]C2)c(=O)[nH]1

HBA:	5	RingCount:	2
HBD:	4	FractionCSP3:	0.25
AlogP:	-1.98	Num_rotatable_bonds:	1
MolWt:	180.19	Num_heavy_atoms:	13
TPSA:	82.33	NumAromaticRings:	1