GD002389

Name:

None

Formula:

C87H119O39N34P3

Smiles:

CO[C@@H]1[C@H](COP(=O)(O)O)O[C@H](n2cnc3c(N)ncnc32)[C@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](OP(=O)(O)OC[C@@H]2CN(CCOCCOCC(=O)NCCOCCOCC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn3cc(C)c(=O)[nH]c3=O)C(=O)Cn3cc(C)c(=O)[nH]c3=O)C(=O)Cn3cc(C)c(=O)[nH]c3=O)C(=O)Cn3cc(C)c(=O)[nH]c3=O)C[C@H](n3cnc4c(N)ncnc43)O2)[C@H]1O

Aglycone:

COP(=O)(O)O.COP(=O)(O)O.Cc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)COCCOCCNC(=O)COCCOCCN2CC(COP(=O)(O)O)OC(n3cnc4c(N)ncnc43)C2)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)CC(N)=O)c(=O)[nH]c1=O.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

COC1OC(O)OC1O.OCC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL3143834

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

AD00079

Formula: CH5O4P

Smiles:

COP(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.27	Num_rotatable_bonds:	1
MolWt:	112.02	Num_heavy_atoms:	6
TPSA:	66.76	NumAromaticRings:	0

AD02285

Formula: C66H93O27N24P

Smiles:

Cc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)COCCOCCNC(=O)COCCOCCN2CC(COP(=O)(O)O)OC(n3cnc4c(N)ncnc43)C2)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)CC(N)=O)c(=O)[nH]c1=O

HBA:	51	RingCount:	7
HBD:	15	FractionCSP3:	0.53
AlogP:	-11.4	Num_rotatable_bonds:	48
MolWt:	1685.58	Num_heavy_atoms:	118
TPSA:	675.04	NumAromaticRings:	6