GD002013

Name:

None

Formula:

C38H56O23N10P2

Smiles:

Cc1cn([C@@H]2C[C@H](O)[C@H](COP(=O)(O)O[C@@H]3[C@H](COP(=O)(O)O[C@@H]4[C@H](CO)O[C@H](n5ccc(=O)[nH]c5=O)[C@H]4OC(=O)NCCCCN)O[C@H](n4ccc(=O)[nH]c4=O)[C@H]3OC(=O)NCCCCN)O2)c(=O)[nH]c1=O

Aglycone:

COP(=O)(O)O.Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O.NCCCCNC(=O)O.NCCCCNC(=O)O.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL2158898

AD00079

Formula: CH5O4P

Smiles:

COP(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.27	Num_rotatable_bonds:	1
MolWt:	112.02	Num_heavy_atoms:	6
TPSA:	66.76	NumAromaticRings:	0

AD00106

Formula: C4H4O2N2

Smiles:

O=c1cc[nH]c(=O)[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.94	Num_rotatable_bonds:	0
MolWt:	112.09	Num_heavy_atoms:	8
TPSA:	65.72	NumAromaticRings:	1

AD01959

Formula: C10H15O8N2P

Smiles:

Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O

HBA:	10	RingCount:	2
HBD:	4	FractionCSP3:	0.6
AlogP:	-1.4	Num_rotatable_bonds:	4
MolWt:	322.21	Num_heavy_atoms:	21
TPSA:	151.08	NumAromaticRings:	1

AD01960

Formula: C5H12O2N2

Smiles:

NCCCCNC(=O)O

HBA:	4	RingCount:	0
HBD:	4	FractionCSP3:	0.8
AlogP:	-0.01	Num_rotatable_bonds:	4
MolWt:	132.16	Num_heavy_atoms:	9
TPSA:	75.35	NumAromaticRings:	0