GD103626

Name:

None

Formula:

C20H31O11N2

Smiles:

CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.[NH3+]C1CCC(C[N+](=O)[O-])C1

Sugarmoiety:

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1[OH2+]

Other Identifiers

• ZINC001168980639

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

AD26647

Formula: C6H13O2N2

Smiles:

[NH3+]C1CCC(C[N+](=O)[O-])C1

HBA:	4	RingCount:	1
HBD:	3	FractionCSP3:	1.0
AlogP:	-0.33	Num_rotatable_bonds:	2
MolWt:	145.18	Num_heavy_atoms:	10
TPSA:	70.78	NumAromaticRings:	0