GD026455

Name:

None

Formula:

C149H199O81N71P14

Smiles:

Cc1cn([C@@H]2C[C@H](OP(N)(=O)OC[C@@H]3C[C@H](OP(N)(=O)OC[C@@H]4O[C@H](n5cnc6c(=O)[nH]c(N)nc65)C[C@H]4OP(N)(=O)OC[C@@H]4O[C@H](n5ccc(=O)[nH]c5=O)[C@H](O)[C@H]4OP(N)(=O)OC[C@@H]4O[C@H](n5cnc6c(=O)[nH]c(N)nc65)C[C@H]4OP(N)(=O)OC[C@@H]4O[C@H](n5cc(C)c(=O)[nH]c5=O)C[C@H]4OP(N)(=O)OC[C@@H]4O[C@H](n5cnc6c(=O)[nH]c(N)nc65)C[C@H]4OP(N)(=O)OC[C@@H]4O[C@H](n5cnc6c(=O)[nH]c(N)nc65)C[C@H]4OP(N)(=O)OC[C@@H]4O[C@H](n5cc(C)c(=O)[nH]c5=O)C[C@H]4OP(N)(=O)OC[C@@H]4O[C@H](n5cc(C)c(=O)[nH]c5=O)C[C@H]4OP(N)(=O)OC[C@@H]4O[C@H](n5cnc6c(=O)[nH]c(N)nc65)C[C@H]4OP(N)(=O)OC[C@@H]4O[C@H](n5cnc6c(=O)[nH]c(N)nc65)C[C@H]4O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O3)[C@H](COP(N)(=O)O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3COP(N)(=O)O[C@@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@H]3COP(N)(=O)O[C@@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@H]3CO)O2)c(=O)[nH]c1=O

Aglycone:

COP(N)(=O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(N)(=O)OC1CC(COP(N)(=O)OC2CC(n3cc(C)c(=O)[nH]c3=O)OC2COP(N)(=O)OC2CC(n3cc(C)c(=O)[nH]c3=O)OC2COP(N)(=O)OC2CC(n3cnc4c(=O)[nH]c(N)nc43)OC2COP(N)(=O)OC2CC(n3cnc4c(=O)[nH]c(N)nc43)OC2CO)OC1n1cnc2c(=O)[nH]c(N)nc21.Cc1cn(C2CC(OP(N)(=O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3OP(N)(=O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3O)C(COP(N)(=O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(N)(=O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(N)(=O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(N)(=O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(N)(=O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(N)(=O)O)O2)c(=O)[nH]c1=O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL2367553

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

AD17438

Formula: C61H84O33N30P6

Smiles:

COP(N)(=O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(N)(=O)OC1CC(COP(N)(=O)OC2CC(n3cc(C)c(=O)[nH]c3=O)OC2COP(N)(=O)OC2CC(n3cc(C)c(=O)[nH]c3=O)OC2COP(N)(=O)OC2CC(n3cnc4c(=O)[nH]c(N)nc43)OC2COP(N)(=O)OC2CC(n3cnc4c(=O)[nH]c(N)nc43)OC2CO)OC1n1cnc2c(=O)[nH]c(N)nc21

HBA:	63	RingCount:	16
HBD:	27	FractionCSP3:	0.54
AlogP:	-3.28	Num_rotatable_bonds:	35
MolWt:	1951.36	Num_heavy_atoms:	130
TPSA:	912.99	NumAromaticRings:	10

AD17439

Formula: C80H109O44N39P8

Smiles:

Cc1cn(C2CC(OP(N)(=O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3OP(N)(=O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3O)C(COP(N)(=O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(N)(=O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(N)(=O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(N)(=O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(N)(=O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(N)(=O)O)O2)c(=O)[nH]c1=O

HBA:	83	RingCount:	21
HBD:	36	FractionCSP3:	0.54
AlogP:	-4.84	Num_rotatable_bonds:	46
MolWt:	2568.77	Num_heavy_atoms:	171
TPSA:	1210.0	NumAromaticRings:	13