GD106320

Name:

None

Formula:

C28H38O18S

Smiles:

CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)S[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(=O)OCC1SC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000150654919

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

AD44147

Formula: C14H20O9S

Smiles:

CC(=O)OCC1SC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1O

HBA:	9	RingCount:	1
HBD:	1	FractionCSP3:	0.71
AlogP:	-0.22	Num_rotatable_bonds:	5
MolWt:	364.37	Num_heavy_atoms:	24
TPSA:	125.43	NumAromaticRings:	0