GD095696

Name:

None

Formula:

C20H30O11N

Smiles:

C#CCOC[C@H](O)C[NH2+][C@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

C#CCOCC(O)C[NH3+].COC(C)=O

Sugarmoiety:

CC(=O)OCC1OOC([OH2+])C(OC(C)=O)C1OC(C)=O

Other Identifiers

• ZINC001251894470

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

AD40802

Formula: C6H12O2N

Smiles:

C#CCOCC(O)C[NH3+]

HBA:	3	RingCount:	0
HBD:	4	FractionCSP3:	0.67
AlogP:	-1.76	Num_rotatable_bonds:	4
MolWt:	130.17	Num_heavy_atoms:	9
TPSA:	57.1	NumAromaticRings:	0