GD100360

Name:

None

Formula:

C22H36O11N

Smiles:

CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@@H](C)CCC(=O)OC(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CC([NH3+])CCC(=O)OC(C)C.COC(C)=O

Sugarmoiety:

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1[OH2+]

Other Identifiers

• ZINC001172759904

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

AD26700

Formula: C8H18O2N

Smiles:

CC([NH3+])CCC(=O)OC(C)C

HBA:	3	RingCount:	0
HBD:	3	FractionCSP3:	0.88
AlogP:	0.35	Num_rotatable_bonds:	4
MolWt:	160.24	Num_heavy_atoms:	11
TPSA:	53.94	NumAromaticRings:	0