GD106467

Name:

None

Formula:

C31H40O19N2

Smiles:

COc1ccn([C@H]2O[C@H](COC(C)=O)[C@@H](O[C@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)n1

Aglycone:

COC(C)=O.COC(C)=O.COc1cc[nH]c(=O)n1

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

• ZINC000256579621

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

AD22551

Formula: C5H6O2N2

Smiles:

COc1cc[nH]c(=O)n1

HBA:	4	RingCount:	1
HBD:	1	FractionCSP3:	0.2
AlogP:	-0.22	Num_rotatable_bonds:	1
MolWt:	126.11	Num_heavy_atoms:	9
TPSA:	54.98	NumAromaticRings:	1