GD016712

Name:

None

Formula:

C271H337O172N109P28

Smiles:

Cc1cn([C@@H]2C[C@H](OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cc(C)c(=O)[nH]c4=O)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cc(C)c(=O)[nH]c4=O)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cc(C)c(=O)[nH]c4=O)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cc(C)c(=O)[nH]c4=O)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cc(C)c(=O)[nH]c4=O)C[C@H]3OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@]34COCOC([C@H](n5cc(C)c(=O)[nH]c5=O)O3)[C@H]4O)[C@H](COP(=O)(O)O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3COP(=O)(O)O[C@@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@H]3COP(=O)(O)O[C@@H]3C[C@H](n4ccc(N)nc4=O)O[C@H]3COP(=O)(O)O[C@@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@H]3COP(=O)(O)O[C@@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@H]3CO)O2)c(=O)[nH]c1=O

Aglycone:

COP(=O)(O)O.COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(O)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2ccc(N)nc2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1CO.Cc1cn(C2CC(OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC34COCOC(C(n5cc(C)c(=O)[nH]c5=O)O3)C4O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)O1.OCC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL2373570

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

AD00207

Formula: C5H4ON5

Smiles:

Nc1nc2c(c(=O)[nH]1)N=C[N]2

HBA:	6	RingCount:	2
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.74	Num_rotatable_bonds:	0
MolWt:	150.12	Num_heavy_atoms:	11
TPSA:	98.23	NumAromaticRings:	1

AD11994

Formula: C190H237O116N78P19

Smiles:

COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(O)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2ccc(N)nc2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1CO

HBA:	194	RingCount:	51
HBD:	62	FractionCSP3:	0.53
AlogP:	-6.13	Num_rotatable_bonds:	113
MolWt:	6057.92	Num_heavy_atoms:	403
TPSA:	2675.04	NumAromaticRings:	32

AD11995

Formula: C62H81O47N21P8

Smiles:

Cc1cn(C2CC(OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC34COCOC(C(n5cc(C)c(=O)[nH]c5=O)O3)C4O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O

HBA:	68	RingCount:	16
HBD:	21	FractionCSP3:	0.56
AlogP:	-3.29	Num_rotatable_bonds:	38
MolWt:	2120.22	Num_heavy_atoms:	138
TPSA:	946.07	NumAromaticRings:	9