GD028230

Name:

None

Formula:

C44H67O9N17

Smiles:

CN(CCCC(=O)NCCCCn1nnc2c1CCCCCC2OCCNC(=O)CCCN(C)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O

Aglycone:

CN(C)CCCC(=O)NCCCCn1nnc2c1CCCCCC2OCCNC(=O)CCCN(C)C.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL1939719

AD00058

Formula: C5H4N5

Smiles:

Nc1ncnc2c1N=C[N]2

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.03	Num_rotatable_bonds:	0
MolWt:	134.12	Num_heavy_atoms:	10
TPSA:	78.26	NumAromaticRings:	1

AD18472

Formula: C26H49O3N7

Smiles:

CN(C)CCCC(=O)NCCCCn1nnc2c1CCCCCC2OCCNC(=O)CCCN(C)C

HBA:	10	RingCount:	2
HBD:	2	FractionCSP3:	0.85
AlogP:	2.15	Num_rotatable_bonds:	17
MolWt:	507.72	Num_heavy_atoms:	36
TPSA:	104.62	NumAromaticRings:	1