GD023500

Name:

None

Formula:

C124H134O62N33P9

Smiles:

Cc1cn([C@@H]2O[C@]3(COP(=O)(O)O[C@@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@H]4COP(=O)(O)O[C@@H]4[C@H](COP(=O)(O)O[C@@H]5[C@@H]6[C@H](n7cc(C)c(N)nc7=O)O[C@@]5(COP(=O)(O)O[C@@H]5[C@H](COP(=O)(O)O)O[C@H](n7cnc8c(=O)[nH]c(N)nc87)[C@H]5O)CN6C(=O)c5ccc6ccc7cccc8ccc5c6c78)O[C@H](n5cnc6c(N)ncnc65)[C@H]4O)CN(C(=O)c4ccc5ccc6cccc7ccc4c5c67)[C@H]2[C@H]3OP(=O)(O)OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2OP(=O)(O)OC[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2OP(=O)(O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2OP(=O)(O)OC[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)c(=O)nc1N

Aglycone:

COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)OC1C2C(n3cc(C)c(N)nc3=O)OC1(COP(=O)(O)O)CN2C(=O)c1ccc2ccc3cccc4ccc1c2c34.COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1C2C(n3cc(C)c(N)nc3=O)OC1(COP(=O)(O)OC1CC(n3cc(C)c(=O)[nH]c3=O)OC1COP(=O)(O)O)CN2C(=O)c1ccc2ccc3cccc4ccc1c2c34.Nc1cc[nH]c(=O)n1.Nc1cc[nH]c(=O)n1.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

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

Other Identifiers

• CHEMBL1630367

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

AD00115

Formula: C4H5ON3

Smiles:

Nc1cc[nH]c(=O)n1

HBA:	4	RingCount:	1
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.65	Num_rotatable_bonds:	0
MolWt:	111.1	Num_heavy_atoms:	8
TPSA:	71.77	NumAromaticRings:	1

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

AD15793

Formula: C29H28O11N4P2

Smiles:

COP(=O)(O)OC1C2C(n3cc(C)c(N)nc3=O)OC1(COP(=O)(O)O)CN2C(=O)c1ccc2ccc3cccc4ccc1c2c34

HBA:	15	RingCount:	7
HBD:	5	FractionCSP3:	0.28
AlogP:	3.06	Num_rotatable_bonds:	8
MolWt:	670.51	Num_heavy_atoms:	46
TPSA:	212.97	NumAromaticRings:	5

AD15794

Formula: C49H54O25N8P4

Smiles:

COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1C2C(n3cc(C)c(N)nc3=O)OC1(COP(=O)(O)OC1CC(n3cc(C)c(=O)[nH]c3=O)OC1COP(=O)(O)O)CN2C(=O)c1ccc2ccc3cccc4ccc1c2c34

HBA:	33	RingCount:	11
HBD:	9	FractionCSP3:	0.41
AlogP:	2.36	Num_rotatable_bonds:	20
MolWt:	1278.9	Num_heavy_atoms:	86
TPSA:	452.67	NumAromaticRings:	7