GD010799

Name:

None

Formula:

C110H136O61N46P10S7

Smiles:

Cc1cn([C@@H]2C[C@H](OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=S)[nH]c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=S)[nH]c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=S)[nH]c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cc(C)c(=O)[nH]c4=O)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=S)[nH]c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=S)[nH]c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=S)[nH]c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cc(C)c(=O)[nH]c4=O)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=S)[nH]c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@H]3O)[C@H](CO)O2)c(=O)[nH]c1=O

Aglycone:

COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO.Nc1nc2c(c(=O)[nH]1)N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL2313981

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

AD08294

Formula: C101H127O57N41P10S7

Smiles:

COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cnc3c(=S)[nH]c(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO

HBA:	98	RingCount:	27
HBD:	35	FractionCSP3:	0.53
AlogP:	4.67	Num_rotatable_bonds:	59
MolWt:	3361.57	Num_heavy_atoms:	216
TPSA:	1342.35	NumAromaticRings:	17