GD098974

Name:

None

Formula:

C20H31O9N4

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cc(N(C)C(C)(C)C[NH3+])c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CN(c1c[nH]c(=O)[nH]c1=O)C(C)(C)C[NH3+].COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC001170060144

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

AD42128

Formula: C9H17O2N4

Smiles:

CN(c1c[nH]c(=O)[nH]c1=O)C(C)(C)C[NH3+]

HBA:	6	RingCount:	1
HBD:	5	FractionCSP3:	0.56
AlogP:	-1.48	Num_rotatable_bonds:	3
MolWt:	213.26	Num_heavy_atoms:	15
TPSA:	96.6	NumAromaticRings:	1