GD027350

Name:

None

Formula:

C43H59O19N8P3S

Smiles:

CC(C)(C)c1ccc(N2C[C@H](COc3ccc(C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]4O[C@H](n5cnc6c(N)ncnc65)[C@H](O)[C@H]4OP(=O)(O)O)cc3)CC2=O)cc1

Aglycone:

COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(OCC2CC(=O)N(c3ccc(C(C)(C)C)cc3)C2)cc1.Nc1ncnc2c1N=C[N]2.O=P(O)(O)O

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL2165255

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

AD17979

Formula: C34H49O13N3P2S

Smiles:

COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(OCC2CC(=O)N(c3ccc(C(C)(C)C)cc3)C2)cc1

HBA:	16	RingCount:	3
HBD:	5	FractionCSP3:	0.53
AlogP:	4.18	Num_rotatable_bonds:	19
MolWt:	801.79	Num_heavy_atoms:	53
TPSA:	227.33	NumAromaticRings:	2