GD026811

Name:

None

Formula:

C210H262O148N85P21

Smiles:

COP(=O)(O)O[C@@H]1[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]5NC[C@@]4(COP(=O)(O)O[C@@H]4[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](COP(=O)(O)O[C@@H]%18[C@H](COP(=O)(O)O[C@@H]%19[C@H](COP(=O)(O)O[C@@H]%20[C@@H]%21OC[C@@]%20(COP(=O)(O)O[C@@H]%20[C@H](CO)O[C@H](n%22cnc%23c(=O)[nH]c(N)nc%23%22)[C@H]%20O)O[C@H]%21n%20cnc%21c(=O)[nH]c(N)nc%21%20)O[C@H](n%20ccc(N)nc%20=O)[C@H]%19O)O[C@H](n%19cc(C)c(=O)[nH]c%19=O)[C@H]%18O)O[C@H](n%18cnc%19c(N)ncnc%19%18)[C@H]%17O)O[C@H](n%17cnc%18c(N)ncnc%18%17)[C@H]%16O)O[C@H](n%16cc(C)c(=O)[nH]c%16=O)[C@H]%15O)O[C@H](n%15cnc%16c(N)ncnc%16%15)[C@H]%14O)O[C@H](n%14cnc%15c(=O)[nH]c(N)nc%15%14)[C@H]%13O)O[C@H](n%13cnc%14c(N)ncnc%14%13)[C@H]%12O)O[C@H](n%12ccc(N)nc%12=O)[C@H]%11O)O[C@H](n%11ccc(N)nc%11=O)[C@H]%10O)O[C@H](n%10cc(C)c(=O)[nH]c%10=O)[C@H]9O)O[C@H](n9cnc%10c(=O)[nH]c(N)nc%109)[C@H]8O)O[C@H](n8cnc9c(=O)[nH]c(N)nc98)[C@H]7O)O[C@H](n7cnc8c(=O)[nH]c(N)nc87)[C@H]6O)O[C@H](n6cnc7c(=O)[nH]c(N)nc76)[C@H]4O)O[C@H]5n4cc(C)c(=O)[nH]c4=O)O[C@H](n4cc(C)c(=O)[nH]c4=O)[C@H]3O)O[C@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H]2O)O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[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.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

Sugarmoiety:

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

Other Identifiers

• CHEMBL1076539

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