GD013604

Name:

None

Formula:

C23H27O14N3

Smiles:

CCOC(=O)C#Cc1c(C(=O)OCC)nnn1[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(=O)O

Aglycone:

CCOC(=O)C#CC1=C(C(=O)OCC)N=N[N]1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4097151

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

AD01619

Formula: C10H10O4N3

Smiles:

CCOC(=O)C#CC1=C(C(=O)OCC)N=N[N]1

HBA:	7	RingCount:	1
HBD:	0	FractionCSP3:	0.4
AlogP:	0.31	Num_rotatable_bonds:	3
MolWt:	236.21	Num_heavy_atoms:	17
TPSA:	91.42	NumAromaticRings:	0