GD033121

Name:

None

Formula:

C61H80O32N12

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2cc(COCC(COCc3cn([C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)nn3)(COCc3cn([C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)nn3)COCc3cn([C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)nn3)nn2)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

C1=C(COCC(COCC2=C[N]N=N2)(COCC2=C[N]N=N2)COCC2=C[N]N=N2)N=N[N]1.COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C1OC(C)=O.CC(=O)OCC1OC(O)C(OC(C)=O)C1OC(C)=O.CC(=O)OCC1OC(O)C(OC(C)=O)C1OC(C)=O.OC1OOC(O)O1

Other Identifiers

• CHEMBL4455859

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

AD09850

Formula: C17H20O4N12

Smiles:

C1=C(COCC(COCC2=C[N]N=N2)(COCC2=C[N]N=N2)COCC2=C[N]N=N2)N=N[N]1

HBA:	16	RingCount:	4
HBD:	0	FractionCSP3:	0.53
AlogP:	1.35	Num_rotatable_bonds:	16
MolWt:	456.43	Num_heavy_atoms:	33
TPSA:	192.2	NumAromaticRings:	0