GD024291

Name:

None

Formula:

C182H226O133N75P19

Smiles:

Nc1ccn([C@H]2O[C@@H](COP(=O)(O)O[C@H]3[C@H](COP(=O)(O)O[C@H]4[C@H](COP(=O)(O)O[C@H]5[C@H](COP(=O)(O)O[C@H]6[C@H](COP(=O)(O)O[C@H]7[C@H](COP(=O)(O)O[C@H]8[C@H](COP(=O)(O)O[C@H]9[C@H](COP(=O)(O)O[C@H]%10[C@H](COP(=O)(O)O[C@H]%11[C@H](COP(=O)(O)O[C@H]%12[C@H](COP(=O)(O)O[C@H]%13[C@H](COP(=O)(O)O[C@H]%14[C@H](COP(=O)(O)O[C@H]%15[C@H](COP(=O)(O)O[C@H]%16[C@H](COP(=O)(O)O[C@H]%17[C@@H](CO)O[C@@H](n%18ccc(N)nc%18=O)[C@@H]%17O)O[C@H](n%17cnc%18c(=O)[nH]c(N)nc%18%17)[C@@H]%16O)O[C@H](n%16cnc%17c(N)ncnc%17%16)[C@@H]%15O)O[C@H](n%15cnc%16c(=O)[nH]c(N)nc%16%15)[C@@H]%14O)O[C@H](n%14ccc(N)nc%14=O)[C@@H]%13O)O[C@H](n%13ccc(=O)[nH]c%13=O)[C@@H]%12O)O[C@H](n%12cnc%13c(=O)[nH]c(N)nc%13%12)[C@@H]%11O)O[C@H](n%11ccc(N)nc%11=O)[C@@H]%10O)O[C@H](n%10ccc(=O)[nH]c%10=O)[C@@H]9O)O[C@H](n9ccc(=O)[nH]c9=O)[C@@H]8O)O[C@H](n8cnc9c(N)ncnc98)[C@@H]7O)O[C@H](n7cnc8c(N)ncnc87)[C@@H]6O)O[C@H](n6ccc(=O)[nH]c6=O)[C@@H]5O)O[C@H](n5cnc6c(=O)[nH]c(N)nc65)[C@@H]4O)O[C@H](n4cnc5c(N)ncnc54)[C@@H]3O)[C@H](OP(=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](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)O)[C@H]2O)c(=O)n1

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.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.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.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.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2.O=P(O)(O)O.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:

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

Other Identifiers

• CHEMBL1098339

AD00019

Formula: H3O4P

Smiles:

O=P(O)(O)O

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.93	Num_rotatable_bonds:	0
MolWt:	97.99	Num_heavy_atoms:	5
TPSA:	77.76	NumAromaticRings:	0

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