GD030694

Name:

None

Formula:

C44H60O22N6

Smiles:

CC(=O)OCC1OC(OCc2cn(C[C@@H]3CC[C@H]([C@@H]4CC[C@H](Cn5cc(COC6OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C6OC(C)=O)nn5)O4)O3)nn2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.OCc1cn(CC2CCC(C3CCC(Cn4cc(CO)nn4)O3)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

• CHEMBL1878849

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

AD19849

Formula: C16H24O4N6

Smiles:

OCc1cn(CC2CCC(C3CCC(Cn4cc(CO)nn4)O3)O2)nn1

HBA:	10	RingCount:	4
HBD:	2	FractionCSP3:	0.75
AlogP:	-0.35	Num_rotatable_bonds:	7
MolWt:	364.41	Num_heavy_atoms:	26
TPSA:	120.34	NumAromaticRings:	2