GD006375

Name:

None

Formula:

C35H58O20N7P3S

Smiles:

CCCCCCCCC1OC(=O)C(CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2OP(=O)(O)O)C1C(=O)O

Aglycone:

CCCCCCCCC1OC(=O)C(CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC)C1C(=O)O.Nc1ncnc2c1N=C[N]2.O=P(O)(O)O

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL4081425

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

AD05283

Formula: C26H48O14N2P2S

Smiles:

CCCCCCCCC1OC(=O)C(CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC)C1C(=O)O

HBA:	16	RingCount:	1
HBD:	6	FractionCSP3:	0.85
AlogP:	2.6	Num_rotatable_bonds:	24
MolWt:	706.69	Num_heavy_atoms:	45
TPSA:	244.32	NumAromaticRings:	0