GD032823

Name:

None

Formula:

C36H39O11N5

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2cc(COc3ccc4c(c3)OC(N)=C(C#N)C4c3ccc(C(C)C)cc3)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(C)c1ccc(C2C(C#N)=C(N)Oc3cc(OCC4=C[N]N=N4)ccc32)cc1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4470370

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

AD21001

Formula: C22H20O2N5

Smiles:

CC(C)c1ccc(C2C(C#N)=C(N)Oc3cc(OCC4=C[N]N=N4)ccc32)cc1

HBA:	7	RingCount:	4
HBD:	2	FractionCSP3:	0.23
AlogP:	4.23	Num_rotatable_bonds:	5
MolWt:	386.44	Num_heavy_atoms:	29
TPSA:	107.09	NumAromaticRings:	2