GD026944

Name:

None

Formula:

C175H225O97N56P17S17

Smiles:

CO[C@@H]1[C@@H](OP(=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]2[C@H](COP(=O)(S)O[C@@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@H]3COP(=O)(S)O[C@@H]3C[C@H](n4ccc(N)nc4=O)O[C@H]3COP(=O)(S)O[C@@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@H]3COP(=O)(S)O[C@@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@H]3COP(=O)(S)O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3COP(=O)(S)O[C@@H]3C[C@H](n4ccc(N)nc4=O)O[C@H]3COP(=O)(S)O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3COP(=O)(S)O[C@@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@H]3COP(=O)(S)O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3COP(=O)(S)O[C@@H]3C[C@H](n4ccc(N)nc4=O)O[C@H]3CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H]2OC)O[C@@H]1n1ccc(=O)[nH]c1=O

Aglycone:

COP(=O)(O)S.COP(=O)(S)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(S)OC1CC(n2ccc(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)(O)S)O2)c(=O)[nH]c1=O.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

COC1C(O)OC(CO)C1O.COC1OC(O)OC1O

Other Identifiers

• CHEMBL1162244

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

AD00655

Formula: CH5O3PS

Smiles:

COP(=O)(O)S

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	0.66	Num_rotatable_bonds:	1
MolWt:	128.09	Num_heavy_atoms:	6
TPSA:	46.53	NumAromaticRings:	0

AD17736

Formula: C98H127O52N35P10S10

Smiles:

COP(=O)(S)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(S)OC1CC(n2ccc(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:	87	RingCount:	24
HBD:	20	FractionCSP3:	0.55
AlogP:	6.25	Num_rotatable_bonds:	59
MolWt:	3257.7	Num_heavy_atoms:	205
TPSA:	1133.56	NumAromaticRings:	14

AD17737

Formula: C58H77O34N17P6S6

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)(O)S)O2)c(=O)[nH]c1=O

HBA:	51	RingCount:	13
HBD:	12	FractionCSP3:	0.57
AlogP:	2.29	Num_rotatable_bonds:	34
MolWt:	1934.59	Num_heavy_atoms:	121
TPSA:	675.78	NumAromaticRings:	7