GD107767

Name:

None

Formula:

C34H40O18

Smiles:

CC(=O)OC[C@H]1O[C@@H](O[C@@H]2OCC[C@H]3[C@H](OC(=O)c4ccc(OC(C)=O)cc4)[C@@H]4O[C@]4(COC(C)=O)[C@@H]23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CC(=O)OCC12OC1C(OC(=O)c1ccc(OC(C)=O)cc1)C1CCOC(O)C12.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000095100313

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

AD44339

Formula: C20H22O9

Smiles:

CC(=O)OCC12OC1C(OC(=O)c1ccc(OC(C)=O)cc1)C1CCOC(O)C12

HBA:	9	RingCount:	4
HBD:	1	FractionCSP3:	0.55
AlogP:	0.82	Num_rotatable_bonds:	5
MolWt:	406.39	Num_heavy_atoms:	29
TPSA:	120.89	NumAromaticRings:	1