GD001864

Name:

None

Formula:

C177H229O96N56P17S17

Smiles:

COC1[C@H](OP(=O)(S)OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2OP(=O)(S)OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2OP(=O)(S)OC[C@@H]2O[C@H](n3ccc(N)nc3=O)C[C@H]2OP(=O)(S)OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2OP(=O)(S)OC[C@@H]2O[C@H](n3ccc(N)nc3=O)C[C@H]2OP(=O)(S)OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2OP(=O)(S)OC[C@@H]2O[C@H](n3cnc4c(=O)[nH]c(N)nc43)C[C@H]2OP(=O)(S)OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2O)[C@H](COP(=O)(S)O[C@@H]2C[C@H](n3cc(C)c(N)nc3=O)O[C@H]2COP(=O)(S)O[C@@H]2C[C@H](n3cnc4c(N)ncnc43)O[C@H]2COP(=O)(S)O[C@@H]2C[C@H](n3cnc4c(=O)[nH]c(N)nc43)O[C@H]2COP(=O)(S)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@H]2COP(=O)(S)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@H]2COP(=O)(S)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@H]2COP(=O)(S)O[C@@H]2C[C@H](n3cnc4c(N)ncnc43)O[C@H]2COP(=O)(S)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@H]2COP(=O)(S)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@H]2CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

Aglycone:

COP(=O)(S)OC1CC(n2cc(C)c(N)nc2=O)OC1COP(=O)(S)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(S)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(S)OC1CC(n2ccc(N)nc2=O)OC1COP(=O)(S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(S)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(S)OC1CC(n2ccc(N)nc2=O)OC1CO.Cc1cn(C2CC(O)C(COP(=O)(S)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)S)O2)c(=O)[nH]c1=O.Nc1nc2c(c(=O)[nH]1)N=C[N]2

Sugarmoiety:

COC1C(O)OC(O)C1O

Other Identifiers

• CHEMBL575981

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

AD01823

Formula: C89H117O47N30P9S9

Smiles:

COP(=O)(S)OC1CC(n2cc(C)c(N)nc2=O)OC1COP(=O)(S)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(S)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(S)OC1CC(n2ccc(N)nc2=O)OC1COP(=O)(S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(S)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(S)OC1CC(n2ccc(N)nc2=O)OC1CO

HBA:	77	RingCount:	21
HBD:	17	FractionCSP3:	0.56
AlogP:	6.11	Num_rotatable_bonds:	53
MolWt:	2926.45	Num_heavy_atoms:	184
TPSA:	999.21	NumAromaticRings:	12

AD01824

Formula: C78H103O46N21P8S8

Smiles:

Cc1cn(C2CC(O)C(COP(=O)(S)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)S)O2)c(=O)[nH]c1=O

HBA:	67	RingCount:	17
HBD:	14	FractionCSP3:	0.58
AlogP:	3.46	Num_rotatable_bonds:	46
MolWt:	2575.11	Num_heavy_atoms:	161
TPSA:	875.02	NumAromaticRings:	9