GD023961

Name:

None

Formula:

C175H225O96N56P17S17

Smiles:

Cc1cn([C@@H]2C[C@H](O)[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]3[C@H](COP(=O)(S)O[C@@H]4C[C@H](n5ccc(N)nc5=O)O[C@H]4COP(=O)(S)O[C@@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@H]4COP(=O)(S)O[C@@H]4C[C@H](n5ccc(N)nc5=O)O[C@H]4COP(=O)(S)O[C@@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@H]4COP(=O)(S)O[C@@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@H]4COP(=O)(S)O[C@@H]4C[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@H]4COP(=O)(S)O[C@@H]4C[C@H](n5ccc(N)nc5=O)O[C@H]4COP(=O)(S)O[C@@H]4C[C@H](n5cnc6c(N)ncnc65)O[C@H]4COP(=O)(S)O[C@@H]4C[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@H]4COP(=O)(S)O[C@@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@H]4COP(=O)(S)O[C@@H]4C[C@H](n5ccc(N)nc5=O)O[C@H]4COP(=O)(S)O[C@@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@H]4COP(=O)(S)O[C@@H]4C[C@H](n5cnc6c(N)ncnc65)O[C@H]4COP(=O)(S)O[C@@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@H]4COP(=O)(S)O[C@@H]4C[C@H](n5ccc(N)nc5=O)O[C@H]4CO)O[C@H](n4cc(C)c(=O)[nH]c4=O)[C@H]3O)O2)c(=O)[nH]c1=O

Aglycone:

COP(=O)(S)OC1CC(n2ccc(N)nc2=O)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(n2cc(C)c(=O)[nH]c2=O)OC1COP(=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.Cc1c[nH]c(=O)[nH]c1=O.Cc1cn(C2CC(O)C(COP(=O)(S)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(O)S)O2)c(=O)[nH]c1=O

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL1162243

AD00276

Formula: C5H6O2N2

Smiles:

Cc1c[nH]c(=O)[nH]c1=O

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.2
AlogP:	-0.63	Num_rotatable_bonds:	0
MolWt:	126.11	Num_heavy_atoms:	9
TPSA:	65.72	NumAromaticRings:	1

AD16058

Formula: C146H190O80N47P15S15

Smiles:

COP(=O)(S)OC1CC(n2ccc(N)nc2=O)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(n2cc(C)c(=O)[nH]c2=O)OC1COP(=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:	127	RingCount:	34
HBD:	27	FractionCSP3:	0.56
AlogP:	9.14	Num_rotatable_bonds:	89
MolWt:	4828.99	Num_heavy_atoms:	303
TPSA:	1643.76	NumAromaticRings:	19

AD16059

Formula: C20H27O12N7P2S2

Smiles:

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

HBA:	19	RingCount:	5
HBD:	6	FractionCSP3:	0.55
AlogP:	-0.02	Num_rotatable_bonds:	10
MolWt:	683.56	Num_heavy_atoms:	43
TPSA:	265.2	NumAromaticRings:	3