GD106329

Name:

None

Formula:

C24H31O13N

Smiles:

COc1cc(C(=O)NCCO)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.COc1cc(C(=O)NCCO)ccc1O

Sugarmoiety:

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

Other Identifiers

• ZINC000070665971

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

AD44149

Formula: C10H13O4N

Smiles:

COc1cc(C(=O)NCCO)ccc1O

HBA:	5	RingCount:	1
HBD:	3	FractionCSP3:	0.3
AlogP:	0.12	Num_rotatable_bonds:	4
MolWt:	211.22	Num_heavy_atoms:	15
TPSA:	78.79	NumAromaticRings:	1