GD038154

Name:

coenzyme f420-3

Formula:

C34H43O21N6P

Smiles:

C[C@@H](OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c-2cc2ccc(O)cc21)C(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O

Aglycone:

CC(O[PH](=O)O)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O.Cn1c2nc(=O)[nH]c(=O)c-2cc2ccc(O)cc21

Sugarmoiety:

OOCC(O)C(O)C(O)O

Other Identifiers

• 6J4

AD23877

Formula: C12H9O3N3

Smiles:

Cn1c2nc(=O)[nH]c(=O)c-2cc2ccc(O)cc21

HBA:	6	RingCount:	3
HBD:	2	FractionCSP3:	0.08
AlogP:	0.43	Num_rotatable_bonds:	0
MolWt:	243.22	Num_heavy_atoms:	18
TPSA:	87.98	NumAromaticRings:	1

AD23878

Formula: C18H28O14N3P

Smiles:

CC(O[PH](=O)O)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O

HBA:	17	RingCount:	0
HBD:	8	FractionCSP3:	0.61
AlogP:	-2.09	Num_rotatable_bonds:	18
MolWt:	541.4	Num_heavy_atoms:	36
TPSA:	283.03	NumAromaticRings:	0