GD024855

Name:

None

Formula:

C164H182O90N45P13

Smiles:

Cc1cn([C@@H]2C[C@H](OP(=O)(O)OC[C@@H]3O[C@H](n4cc(C)c(=O)[nH]c4=O)C[C@H]3OP(=O)(O)OC[C@]34CN(C(=O)c5ccc6ccc7cccc8ccc5c6c78)[C@@H]([C@H](n5cc(C)c(=O)[nH]c5=O)O3)[C@H]4OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3OP(=O)(O)OC[C@]34CN(C(=O)c5ccc6ccc7cccc8ccc5c6c78)[C@@H]([C@H](n5cc(C)c(=O)[nH]c5=O)O3)[C@H]4OP(=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](n4cc(C)c(=O)[nH]c4=O)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](n4cc(C)c(=O)[nH]c4=O)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4ccc(N)nc4=O)[C@H](O)[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](n4ccc(N)nc4=O)[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]3O)[C@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CHEMBL1630087

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

AD01892

Formula: C11H18O11N2P2

Smiles:

COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)O

HBA:	13	RingCount:	2
HBD:	4	FractionCSP3:	0.64
AlogP:	-0.63	Num_rotatable_bonds:	7
MolWt:	416.22	Num_heavy_atoms:	26
TPSA:	186.61	NumAromaticRings:	1

AD16544

Formula: C29H27O12N3P2

Smiles:

COP(=O)(O)OC1C2C(n3cc(C)c(=O)[nH]c3=O)OC1(COP(=O)(O)O)CN2C(=O)c1ccc2ccc3cccc4ccc1c2c34

HBA:	15	RingCount:	7
HBD:	4	FractionCSP3:	0.28
AlogP:	2.78	Num_rotatable_bonds:	8
MolWt:	671.49	Num_heavy_atoms:	46
TPSA:	206.92	NumAromaticRings:	5

AD16545

Formula: C49H53O26N7P4

Smiles:

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

HBA:	33	RingCount:	11
HBD:	8	FractionCSP3:	0.41
AlogP:	2.07	Num_rotatable_bonds:	20
MolWt:	1279.88	Num_heavy_atoms:	86
TPSA:	446.62	NumAromaticRings:	7