GD106653

Name:

None

Formula:

C25H46O17N7P3S

Smiles:

C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[PH](O)(O)O[PH](O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O[PH](O)(O)O

Aglycone:

CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO[PH](O)(O)O[PH](O)(O)OC.Nc1ncnc2c1N=C[N]2.O[PH](O)(O)O

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• ZINC000255982930

AD00058

Formula: C5H4N5

Smiles:

Nc1ncnc2c1N=C[N]2

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.03	Num_rotatable_bonds:	0
MolWt:	134.12	Num_heavy_atoms:	10
TPSA:	78.26	NumAromaticRings:	1

AD24820

Formula: H5O4P

Smiles:

O[PH](O)(O)O

HBA:	4	RingCount:	0
HBD:	4	FractionCSP3:	0.0
AlogP:	-1.63	Num_rotatable_bonds:	0
MolWt:	100.01	Num_heavy_atoms:	5
TPSA:	80.92	NumAromaticRings:	0

AD44128

Formula: C16H34O11N2P2S

Smiles:

CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO[PH](O)(O)O[PH](O)(O)OC

HBA:	13	RingCount:	0
HBD:	7	FractionCSP3:	0.69
AlogP:	-0.7	Num_rotatable_bonds:	15
MolWt:	524.47	Num_heavy_atoms:	32
TPSA:	204.11	NumAromaticRings:	0