GD013056

Name:

None

Formula:

C40H73O32N5P2

Smiles:

CC(=O)N[C@H](C(=O)N[C@H](CCCCN)C(=O)N[C@H](C(N)=O)[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H](O)[C@H]1O)[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC(=O)NC(C(=O)NC(CCCCN)C(=O)NC(C(N)=O)C(C)O)C(C)O.COP(=O)(O)O.COP(=O)(O)O

Sugarmoiety:

OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL1162087

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

AD09794

Formula: C16H31O6N5

Smiles:

CC(=O)NC(C(=O)NC(CCCCN)C(=O)NC(C(N)=O)C(C)O)C(C)O

HBA:	11	RingCount:	0
HBD:	9	FractionCSP3:	0.75
AlogP:	-3.16	Num_rotatable_bonds:	12
MolWt:	389.45	Num_heavy_atoms:	27
TPSA:	196.87	NumAromaticRings:	0