GD026009

Name:

None

Formula:

C209H260O148N85P21

Smiles:

Cc1cn([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]%14OC[C@@]%13(COP(=O)(O)O[C@@H]%13[C@H](CO)O[C@H](n%15cnc%16c(=O)[nH]c(N)nc%16%15)[C@H]%13O)O[C@H]%14n%13cnc%14c(=O)[nH]c(N)nc%14%13)O[C@H](n%13ccc(N)nc%13=O)[C@H]%12O)O[C@@H](n%12cc(C)c(=O)[nH]c%12=O)[C@@H]%11O)O[C@H](n%11cnc%12c(N)ncnc%12%11)[C@@H]%10O)O[C@H](n%10cnc%11c(N)ncnc%11%10)[C@@H]9O)O[C@H](n9cc(C)c(=O)[nH]c9=O)[C@@H]8O)O[C@H](n8cnc9c(N)ncnc98)[C@@H]7O)O[C@H](n7cnc8c(=O)[nH]c(N)nc87)[C@@H]6O)O[C@H](n6cnc7c(N)ncnc76)[C@@H]5O)O[C@H](n5ccc(N)nc5=O)[C@@H]4O)O[C@H](n4ccc(N)nc4=O)[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(=O)[nH]c(N)nc54)[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](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@H](O)[C@H]3OP(=O)(O)OC[C@]34CN[C@@H]([C@H](n5cc(C)c(=O)[nH]c5=O)O3)[C@H]4OP(=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(=O)[nH]c(N)nc54)[C@H](O)[C@H]3OP(=O)(O)O)[C@H]2O)c(=O)[nH]c1=O

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)OC1C2NCC1(COP(=O)(O)O)OC2n1cc(C)c(=O)[nH]c1=O.COP(=O)(O)OC1C2OCC1(COP(=O)(O)O)OC2n1cnc2c(=O)[nH]c(N)nc21.Cc1c[nH]c(=O)[nH]c1=O.Cc1c[nH]c(=O)[nH]c1=O.Cc1c[nH]c(=O)[nH]c1=O.Cc1c[nH]c(=O)[nH]c1=O.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.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.O=P(O)(O)O

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

Other Identifiers

• CHEMBL1076543

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

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

AD00276

Formula: C5H6O2N2

Smiles:

Cc1c[nH]c(=O)[nH]c1=O

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.2
AlogP:	-0.63	Num_rotatable_bonds:	0
MolWt:	126.11	Num_heavy_atoms:	9
TPSA:	65.72	NumAromaticRings:	1

AD17180

Formula: C12H19O11N3P2

Smiles:

COP(=O)(O)OC1C2NCC1(COP(=O)(O)O)OC2n1cc(C)c(=O)[nH]c1=O

HBA:	14	RingCount:	3
HBD:	5	FractionCSP3:	0.67
AlogP:	-1.67	Num_rotatable_bonds:	7
MolWt:	443.24	Num_heavy_atoms:	28
TPSA:	198.64	NumAromaticRings:	1

AD17181

Formula: C12H17O11N5P2

Smiles:

COP(=O)(O)OC1C2OCC1(COP(=O)(O)O)OC2n1cnc2c(=O)[nH]c(N)nc21

HBA:	16	RingCount:	4
HBD:	6	FractionCSP3:	0.58
AlogP:	-1.39	Num_rotatable_bonds:	7
MolWt:	469.24	Num_heavy_atoms:	30
TPSA:	230.57	NumAromaticRings:	2