GD013103

Name:

None

Formula:

C38H66O18N7P3S

Smiles:

CCCCCCCCCCCCCC[C@]1(C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3cnc4c(N)cnnc43)[C@H](O)[C@H]2OP(=O)(O)O)CO1

Aglycone:

CCCCCCCCCCCCCCC1(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC)CO1.Nc1cnnc2c1N=C[N]2.O=P(O)(O)O

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL2216761

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

AD02165

Formula: C5H4N5

Smiles:

Nc1cnnc2c1N=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

AD09824

Formula: C29H56O12N2P2S

Smiles:

CCCCCCCCCCCCCCC1(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC)CO1

HBA:	14	RingCount:	1
HBD:	5	FractionCSP3:	0.9
AlogP:	5.0	Num_rotatable_bonds:	28
MolWt:	718.78	Num_heavy_atoms:	46
TPSA:	210.32	NumAromaticRings:	0