GD098802

Name:

None

Formula:

C19H28O11N2S

Smiles:

CCOC(=O)CNC(=S)N[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:

CCOC(=O)CNC(N)=S.COC(C)=O

Sugarmoiety:

CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• ZINC001195576729

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

AD42035

Formula: C5H10O2N2S

Smiles:

CCOC(=O)CNC(N)=S

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.6
AlogP:	-0.62	Num_rotatable_bonds:	3
MolWt:	162.21	Num_heavy_atoms:	10
TPSA:	64.35	NumAromaticRings:	0