GD034826

Name:

None

Formula:

C23H35O14N3

Smiles:

CC(=O)OC[C@@H]1O[C@H](OCCCN=[N+]=[N-])[C@H](O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](O)[C@H]1O

Aglycone:

COC(C)=O.[N-]=[N+]=NCCCO

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2C(O)OC(O)C(O)C2O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL4756160

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD09348

Formula: C3H7ON3

Smiles:

[N-]=[N+]=NCCCO

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	0.68	Num_rotatable_bonds:	3
MolWt:	101.11	Num_heavy_atoms:	7
TPSA:	68.99	NumAromaticRings:	0