GD094940

Name:

None

Formula:

C18H24O11N4

Smiles:

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

Aglycone:

COC(C)=O.NC(=O)C(CO)Nc1c[nH]c(=O)[nH]c1=O

Sugarmoiety:

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

Other Identifiers

• ZINC001169338795

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

AD40568

Formula: C7H10O4N4

Smiles:

NC(=O)C(CO)Nc1c[nH]c(=O)[nH]c1=O

HBA:	8	RingCount:	1
HBD:	6	FractionCSP3:	0.29
AlogP:	-2.68	Num_rotatable_bonds:	4
MolWt:	214.18	Num_heavy_atoms:	15
TPSA:	141.07	NumAromaticRings:	1