GD112902

Name:

None

Formula:

C33H24O10NCl3

Smiles:

COC(=O)[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

Aglycone:

N=C(O)C(Cl)(Cl)Cl.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1

Sugarmoiety:

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

Other Identifiers

• ZINC000077319627

AD00002

Formula: C7H6O2

Smiles:

O=C(O)c1ccccc1

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.0
AlogP:	1.38	Num_rotatable_bonds:	1
MolWt:	122.12	Num_heavy_atoms:	9
TPSA:	37.3	NumAromaticRings:	1

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