GD005739

Name:

None

Formula:

C39H63O23N10P3S2

Smiles:

CCCC(=CCCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OP(=O)(O)O

Aglycone:

CCCC(=CCCSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2.O=P(O)(O)O

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL3706514

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

AD04833

Formula: C30H53O17N5P2S2

Smiles:

CCCC(=CCCSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC

HBA:	22	RingCount:	0
HBD:	11	FractionCSP3:	0.7
AlogP:	-0.14	Num_rotatable_bonds:	30
MolWt:	881.85	Num_heavy_atoms:	56
TPSA:	356.61	NumAromaticRings:	0