GD011042

Name:

None

Formula:

C35H37O13N5

Smiles:

COc1cc(OC)cc(C2C(C#N)=C(N)Oc3cc(OCc4cn([C@@H]5O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)nn4)ccc32)c1

Aglycone:

COC(C)=O.COc1cc(OC)cc(C2C(C#N)=C(N)Oc3cc(OCC4=C[N]N=N4)ccc32)c1

Sugarmoiety:

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

Other Identifiers

• CHEMBL4563560

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

AD08466

Formula: C21H18O4N5

Smiles:

COc1cc(OC)cc(C2C(C#N)=C(N)Oc3cc(OCC4=C[N]N=N4)ccc32)c1

HBA:	9	RingCount:	4
HBD:	2	FractionCSP3:	0.19
AlogP:	3.13	Num_rotatable_bonds:	6
MolWt:	404.41	Num_heavy_atoms:	30
TPSA:	125.55	NumAromaticRings:	2