GD004624

Name:

None

Formula:

C22H25O11N3

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2cc(C3(O)C=CC(=O)C=C3)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C1C=CC(O)(C2=C[N]N=N2)C=C1

Sugarmoiety:

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

Other Identifiers

• CHEMBL1945229

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

AD04014

Formula: C8H6O2N3

Smiles:

O=C1C=CC(O)(C2=C[N]N=N2)C=C1

HBA:	5	RingCount:	2
HBD:	1	FractionCSP3:	0.12
AlogP:	0.24	Num_rotatable_bonds:	1
MolWt:	176.16	Num_heavy_atoms:	13
TPSA:	76.12	NumAromaticRings:	0