GD110353

Name:

None

Formula:

C24H30O10NCl3

Smiles:

COC(=O)[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C

Aglycone:

CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.N=C(O)C(Cl)(Cl)Cl

Sugarmoiety:

COC(=O)C1OC(O)C(O)C(O)C1O

Other Identifiers

• ZINC000077303499

AD00350

Formula: C4H8O2

Smiles:

CC(C)C(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.73	Num_rotatable_bonds:	1
MolWt:	88.11	Num_heavy_atoms:	6
TPSA:	37.3	NumAromaticRings:	0

AD08593

Formula: C5H2ONCl3

Smiles:

N=C(O)C(Cl)(Cl)Cl

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.5
AlogP:	1.89	Num_rotatable_bonds:	0
MolWt:	162.4	Num_heavy_atoms:	7
TPSA:	44.08	NumAromaticRings:	0