GD098978

Name:

None

Formula:

C21H31O10N4

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@H](C)[C@H]3C[NH2+]CCO3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CC(Nc1c[nH]c(=O)[nH]c1=O)C1C[NH2+]CCO1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC001170572050

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

AD42130

Formula: C10H17O3N4

Smiles:

CC(Nc1c[nH]c(=O)[nH]c1=O)C1C[NH2+]CCO1

HBA:	7	RingCount:	2
HBD:	5	FractionCSP3:	0.6
AlogP:	-2.17	Num_rotatable_bonds:	3
MolWt:	241.27	Num_heavy_atoms:	17
TPSA:	103.59	NumAromaticRings:	1