GD098218

Name:

None

Formula:

C21H33O12N

Smiles:

CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC[C@@H](O)C(=O)OC(C)(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CC(C)(C)OC(=O)C(O)CN.COC(C)=O

Sugarmoiety:

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

• ZINC001253712714

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

AD41792

Formula: C7H15O3N

Smiles:

CC(C)(C)OC(=O)C(O)CN

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.86
AlogP:	-0.35	Num_rotatable_bonds:	2
MolWt:	161.2	Num_heavy_atoms:	11
TPSA:	72.55	NumAromaticRings:	0