GD100121

Name:

None

Formula:

C23H29O11N

Smiles:

CCOC(=O)c1ccccc1O[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O

Aglycone:

CCOC(=O)c1ccccc1O.COC(C)=O

Sugarmoiety:

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• ZINC000009592251

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

AD42283

Formula: C9H10O3

Smiles:

CCOC(=O)c1ccccc1O

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.22
AlogP:	1.57	Num_rotatable_bonds:	2
MolWt:	166.18	Num_heavy_atoms:	12
TPSA:	46.53	NumAromaticRings:	1