GD006283

Name:

None

Formula:

C204H257O137N85P20

Smiles:

Cc1cn([C@@H]2C[C@H](O)[C@H](COP(=O)(O)O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3COP(=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]6C[C@H](n7cnc8c(N)ncnc87)O[C@H]6COP(=O)(O)O[C@@H]6[C@H](COP(=O)(O)O[C@@H]7C[C@H](n8cnc9c(N)ncnc98)O[C@H]7COP(=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]%14C[C@H](n%15cnc%16c(N)ncnc%16%15)O[C@H]%14COP(=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](CO)O[C@H](n%19cnc%20c(N)ncnc%20%19)[C@H]%18O)O[C@H](n%18ccc(=O)[nH]c%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(=O)[nH]c(N)nc%17%16)[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(=O)[nH]c(N)nc%14%13)[C@H]%12O)O[C@H](n%12cnc%13c(=O)[nH]c(N)nc%13%12)[C@H]%11O)O[C@H](N%11CC=C(N)NC%11=O)[C@H]%10O)O[C@H](n%10cnc%11c(N)ncnc%11%10)[C@H]9O)O[C@H](n9cnc%10c(=O)[nH]c(N)nc%109)[C@H]8O)O[C@H](N8CC=C(N)NC8=O)[C@H]7O)O[C@H](n7ccc(N)nc7=O)[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(=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)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(O)O.COP(=O)(O)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(O)O.COP(=O)(O)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(O)O.Cc1cn(C2CC(O)C(COP(=O)(O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)O)O2)c(=O)[nH]c1=O.NC1=CCNC(=O)N1.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.Nc1ncnc2c1N=C[N]2.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1

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

Other Identifiers

• CHEMBL2368931

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

AD03592

Formula: C20H28O15N4P2

Smiles:

Cc1cn(C2CC(O)C(COP(=O)(O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)O)O2)c(=O)[nH]c1=O

HBA:	19	RingCount:	4
HBD:	6	FractionCSP3:	0.6
AlogP:	-1.75	Num_rotatable_bonds:	10
MolWt:	626.41	Num_heavy_atoms:	41
TPSA:	270.93	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

AD05213

Formula: C11H17O9N5P2

Smiles:

COP(=O)(O)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(O)O

HBA:	14	RingCount:	3
HBD:	5	FractionCSP3:	0.55
AlogP:	-0.06	Num_rotatable_bonds:	7
MolWt:	425.23	Num_heavy_atoms:	27
TPSA:	201.37	NumAromaticRings:	2