GD111506

Name:

None

Formula:

C29H26O12Cl2

Smiles:

CC(=O)OC[C@H]1O[C@@H](O[C@H]2C(=O)c3ccccc3C(=O)/C2=C\C=C(Cl)Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C1C(=CC=C(Cl)Cl)C(O)C(=O)c2ccccc21

Sugarmoiety:

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

Other Identifiers

• ZINC000005430765

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

AD40374

Formula: C15H8O3Cl2

Smiles:

O=C1C(=CC=C(Cl)Cl)C(O)C(=O)c2ccccc21

HBA:	3	RingCount:	2
HBD:	1	FractionCSP3:	0.08
AlogP:	2.67	Num_rotatable_bonds:	1
MolWt:	283.11	Num_heavy_atoms:	18
TPSA:	54.37	NumAromaticRings:	1