GD108971

Name:

None

Formula:

C33H38O17

Smiles:

COc1ccc(C(=O)O[C@@H]2[C@@H]3O[C@]3(COC(C)=O)[C@H]3[C@H](O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)OC=C[C@@H]23)cc1

Aglycone:

COC(C)=O.COc1ccc(C(=O)OC2C3C=COC(O)C3C3(COC(C)=O)OC23)cc1

Sugarmoiety:

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

Other Identifiers

• ZINC000095100309

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

AD44502

Formula: C19H20O8

Smiles:

COc1ccc(C(=O)OC2C3C=COC(O)C3C3(COC(C)=O)OC23)cc1

HBA:	8	RingCount:	4
HBD:	1	FractionCSP3:	0.47
AlogP:	1.03	Num_rotatable_bonds:	5
MolWt:	376.36	Num_heavy_atoms:	27
TPSA:	103.82	NumAromaticRings:	1