GD021012

Name:

None

Formula:

C132H181O87N44P11

Smiles:

CO[C@@H]1[C@@H](n2ccc(N)nc2=O)O[C@@H](COP(=O)(O)O[C@@H]2[C@H](COP(=O)(O)O[C@@H]3[C@H](COP(=O)(O)O[C@@H]4[C@H](CO)O[C@H](n5cnc6c(=O)[nH]c(N)nc65)[C@H]4OC)O[C@H](n4ccc(=O)[nH]c4=O)[C@H]3OC(=O)NCCCCN)O[C@H](n3cnc4c(N)ncnc43)[C@H]2OC)[C@H]1OP(=O)(O)OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](OC)[C@@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](OC)[C@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](OC)[C@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](OC(=O)NCCCCN)[C@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](OC)[C@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](OC)[C@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](OC)[C@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](OC)[C@H]1O

Aglycone:

COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.NCCCCNC(=O)O.NCCCCNC(=O)O.Nc1cc[nH]c(=O)n1.Nc1cc[nH]c(=O)n1.Nc1cc[nH]c(=O)n1.Nc1cc[nH]c(=O)n1.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1ncnc2c1N=C[N]2.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

COC1C(O)OC(CO)C1O.COC1C(O)OC(CO)C1O.COC1C(O)OC(O)C1O.COC1C(O)OC(O)C1O.COC1OC(CO)OC1O.COC1OC(CO)OC1O.COC1OC(CO)OC1O.COC1OC(CO)OC1O.COC1OC(CO)OC1O.COC1OC(O)OC1O.OC1OC(O)C(O)C1O.OCC1OC(O)C(O)O1

Other Identifiers

• CHEMBL2158896

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

AD00106

Formula: C4H4O2N2

Smiles:

O=c1cc[nH]c(=O)[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.94	Num_rotatable_bonds:	0
MolWt:	112.09	Num_heavy_atoms:	8
TPSA:	65.72	NumAromaticRings:	1

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

AD01960

Formula: C5H12O2N2

Smiles:

NCCCCNC(=O)O

HBA:	4	RingCount:	0
HBD:	4	FractionCSP3:	0.8
AlogP:	-0.01	Num_rotatable_bonds:	4
MolWt:	132.16	Num_heavy_atoms:	9
TPSA:	75.35	NumAromaticRings:	0