GD006281

Name:

None

Formula:

C202H253O144N79P20

Smiles:

Cc1cn([C@@H]2C[C@H](O)[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]7C[C@H](n8ccc(N)nc8=O)O[C@H]7COP(=O)(O)O[C@@H]7[C@H](COP(=O)(O)O[C@@H]8C[C@H](n9cnc%10c(=O)[nH]c(N)nc%109)O[C@H]8COP(=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]%15C[C@H](n%16cnc%17c(=O)[nH]c(N)nc%17%16)O[C@H]%15COP(=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](CO)O[C@H](n%20cnc%21c(=O)[nH]c(N)nc%21%20)[C@H]%19O)O[C@H](n%19cnc%20c(=O)[nH]c(N)nc%20%19)[C@H]%18O)O[C@H](n%18cnc%19c(=O)[nH]c(N)nc%19%18)[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%15ccc(=O)[nH]c%15=O)[C@H]%14O)O[C@H](n%14ccc(N)nc%14=O)[C@H]%13O)O[C@H](n%13ccc(N)nc%13=O)[C@H]%12O)O[C@H](n%12cnc%13c(N)ncnc%13%12)[C@H]%11O)O[C@H](n%11cnc%12c(=O)[nH]c(N)nc%12%11)[C@H]%10O)O[C@H](n%10ccc(=O)[nH]c%10=O)[C@H]9O)O[C@H](N9CC=C(N)NC9=O)[C@H]8O)O[C@H](n8ccc(=O)[nH]c8=O)[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](n4cc(C)c(=O)[nH]c4=O)[C@H]3O)O2)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)OC1CC(n2ccc(N)nc2=O)OC1COP(=O)(O)O.COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)O.COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)O.Cc1c[nH]c(=O)[nH]c1=O.Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O.NC1=CCNC(=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.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:

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)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)CC1O.OCC1OCC(O)O1.OO.OO

Other Identifiers

• CHEMBL2368929

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

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

AD01959

Formula: C10H15O8N2P

Smiles:

Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O

HBA:	10	RingCount:	2
HBD:	4	FractionCSP3:	0.6
AlogP:	-1.4	Num_rotatable_bonds:	4
MolWt:	322.21	Num_heavy_atoms:	21
TPSA:	151.08	NumAromaticRings:	1

AD05209

Formula: C10H17O10N3P2

Smiles:

COP(=O)(O)OC1CC(n2ccc(N)nc2=O)OC1COP(=O)(O)O

HBA:	13	RingCount:	2
HBD:	5	FractionCSP3:	0.6
AlogP:	-0.65	Num_rotatable_bonds:	7
MolWt:	401.21	Num_heavy_atoms:	25
TPSA:	192.66	NumAromaticRings:	1

AD05210

Formula: C11H17O10N5P2

Smiles:

COP(=O)(O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)O

HBA:	15	RingCount:	3
HBD:	6	FractionCSP3:	0.55
AlogP:	-0.77	Num_rotatable_bonds:	7
MolWt:	441.23	Num_heavy_atoms:	28
TPSA:	221.34	NumAromaticRings:	2

AD05211

Formula: C4H7ON3

Smiles:

NC1=CCNC(=O)N1

HBA:	4	RingCount:	1
HBD:	4	FractionCSP3:	0.25
AlogP:	-0.9	Num_rotatable_bonds:	0
MolWt:	113.12	Num_heavy_atoms:	8
TPSA:	67.15	NumAromaticRings:	0