GD004036

Name:

None

Formula:

C44H64O19N3P3

Smiles:

CCCCCCCCCCCCCCC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(=O)CCCC)cc2)OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3ccnc(C(N)=O)c3=O)[C@H](O)[C@H]2O)cc1

Aglycone:

CCCCCCCCCCCCCCC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(=O)CCCC)cc2)OP(=O)(O)OP(=O)(O)OC)cc1.NC(=O)c1ncc[nH]c1=O

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL4171535
• CHEMBL4302140

AD00903

Formula: C5H5O2N3

Smiles:

NC(=O)c1ncc[nH]c1=O

HBA:	5	RingCount:	1
HBD:	3	FractionCSP3:	0.0
AlogP:	-1.13	Num_rotatable_bonds:	1
MolWt:	139.11	Num_heavy_atoms:	10
TPSA:	88.84	NumAromaticRings:	1

AD03579

Formula: C35H55O14P3

Smiles:

CCCCCCCCCCCCCCC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(=O)CCCC)cc2)OP(=O)(O)OP(=O)(O)OC)cc1

HBA:	14	RingCount:	2
HBD:	2	FractionCSP3:	0.6
AlogP:	10.5	Num_rotatable_bonds:	29
MolWt:	792.73	Num_heavy_atoms:	52
TPSA:	190.42	NumAromaticRings:	2