GD039012

Name:

[[(2r,3s,4s)-5-[(4as)-7,8-dimethyl-2,4-dioxo-4a,5-dihydrobenzo[g]pteridin-10-yl]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate

Formula:

C27H35O15N9P2

Smiles:

Cc1cc2c(cc1C)N(C[C@@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)C1=NC(=O)NC(=O)[C@H]1N2

Aglycone:

COP(=O)(O)O[PH](=O)O.Cc1cc2c(cc1C)N(C)C1=NC(=O)NC(=O)C1N2.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC(O)C(O)C(O)O.OOCC1OC(O)C(O)C1O

Other Identifiers

• FA8

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

AD02733

Formula: CH6O6P2

Smiles:

COP(=O)(O)O[PH](=O)O

HBA:	6	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	0.13	Num_rotatable_bonds:	3
MolWt:	176.0	Num_heavy_atoms:	9
TPSA:	93.06	NumAromaticRings:	0

AD24233

Formula: C13H14O2N4

Smiles:

Cc1cc2c(cc1C)N(C)C1=NC(=O)NC(=O)C1N2

HBA:	6	RingCount:	3
HBD:	2	FractionCSP3:	0.31
AlogP:	1.18	Num_rotatable_bonds:	0
MolWt:	258.28	Num_heavy_atoms:	19
TPSA:	73.8	NumAromaticRings:	1