GD009870

Name:

None

Formula:

C40H54O21N6

Smiles:

CC(=O)OCC1OC(OCc2cn(C[C@@H]3CC[C@H](Cn4cc(COC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5OC(C)=O)nn4)O3)nn2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.OCc1cn(CC2CCC(Cn3cc(CO)nn3)O2)nn1

Sugarmoiety:

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

Other Identifiers

• CHEMBL1484654

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

AD07702

Formula: C12H18O3N6

Smiles:

OCc1cn(CC2CCC(Cn3cc(CO)nn3)O2)nn1

HBA:	9	RingCount:	3
HBD:	2	FractionCSP3:	0.67
AlogP:	-0.9	Num_rotatable_bonds:	6
MolWt:	294.31	Num_heavy_atoms:	21
TPSA:	111.11	NumAromaticRings:	2