GD029444

Name:

None

Formula:

C25H25O11N3

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2cc(C#Cc3ccccn3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=c1[nH]cc(C#Cc2ccccn2)c(=O)[nH]1

Sugarmoiety:

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

Other Identifiers

• CHEMBL2334542

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

AD15568

Formula: C11H7O2N3

Smiles:

O=c1[nH]cc(C#Cc2ccccn2)c(=O)[nH]1

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.14	Num_rotatable_bonds:	0
MolWt:	213.2	Num_heavy_atoms:	16
TPSA:	78.61	NumAromaticRings:	2