GD107269

Name:

None

Formula:

C32H39O16N3

Smiles:

CC(=O)OC[C@@H]1O[C@@H](OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c2cnn(-c3ccccc3)n2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.c1ccc(-n2nccn2)cc1

Sugarmoiety:

CC(=O)OC(O)C(OC(C)=O)C(COC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)OC(C)=O

Other Identifiers

• ZINC000150414682

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

AD05614

Formula: C8H7N3

Smiles:

c1ccc(-n2nccn2)cc1

HBA:	3	RingCount:	2
HBD:	0	FractionCSP3:	0.0
AlogP:	1.27	Num_rotatable_bonds:	1
MolWt:	145.17	Num_heavy_atoms:	11
TPSA:	30.71	NumAromaticRings:	2