GD110614

Name:

None

Formula:

C29H32O12

Smiles:

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

Aglycone:

CC(C)=CC=C1C(=O)c2ccccc2C(=O)C1O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000005430621

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

AD38241

Formula: C15H14O3

Smiles:

CC(C)=CC=C1C(=O)c2ccccc2C(=O)C1O

HBA:	3	RingCount:	2
HBD:	1	FractionCSP3:	0.2
AlogP:	2.32	Num_rotatable_bonds:	1
MolWt:	242.27	Num_heavy_atoms:	18
TPSA:	54.37	NumAromaticRings:	1