GD115196

Name:

None

Formula:

C42H67O23N8P3S2

Smiles:

CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)CC(O)CCCC=CC=CC=CC(SCC(N)C(=O)O)C(O)CCCC(=O)O

Aglycone:

COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(O)=NCCC(O)=NCCSC(=O)CC(O)CCCC=CC=CC=CC(SCC(N)C(=O)O)C(O)CCCC(=O)O.Nc1ncnc2c1N=C[N]2.O=P(O)(O)O

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CNP0437926

AD00019

Formula: H3O4P

Smiles:

O=P(O)(O)O

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.93	Num_rotatable_bonds:	0
MolWt:	97.99	Num_heavy_atoms:	5
TPSA:	77.76	NumAromaticRings:	0

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

AD45519

Formula: C33H57O17N3P2S2

Smiles:

COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(O)=NCCC(O)=NCCSC(=O)CC(O)CCCC=CC=CC=CC(SCC(N)C(=O)O)C(O)CCCC(=O)O

HBA:	20	RingCount:	0
HBD:	11	FractionCSP3:	0.67
AlogP:	3.54	Num_rotatable_bonds:	32
MolWt:	893.9	Num_heavy_atoms:	57
TPSA:	345.85	NumAromaticRings:	0