GD013899

Name:

None

Formula:

C176H227O96N56P17S17

Smiles:

CO[C@@H]1[C@H](OP(=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]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](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]1n1ccc(N)nc1=O

Aglycone:

COP(=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)(S)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(O)S)O2)c(=O)[nH]c1=O.Nc1cc[nH]c(=O)n1

Sugarmoiety:

COC1C(O)OC(O)C1O

Other Identifiers

• CHEMBL575337

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

AD10304

Formula: C79H103O42N27P8S8

Smiles:

COP(=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:	69	RingCount:	19
HBD:	15	FractionCSP3:	0.56
AlogP:	5.24	Num_rotatable_bonds:	47
MolWt:	2607.17	Num_heavy_atoms:	164
TPSA:	893.54	NumAromaticRings:	11

AD10305

Formula: C88H115O51N26P9S9

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)(S)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(O)S)O2)c(=O)[nH]c1=O

HBA:	77	RingCount:	20
HBD:	17	FractionCSP3:	0.57
AlogP:	3.9	Num_rotatable_bonds:	52
MolWt:	2920.39	Num_heavy_atoms:	183
TPSA:	1009.37	NumAromaticRings:	11