GD019880

Name:

None

Formula:

C22H31O13NS

Smiles:

CCOC(=O)C(C(=O)OCC)C(=S)NC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

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

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL1981575

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

AD13808

Formula: C8H13O4NS

Smiles:

CCOC(=O)C(C(=O)OCC)C(N)=S

HBA:	5	RingCount:	0
HBD:	2	FractionCSP3:	0.62
AlogP:	0.01	Num_rotatable_bonds:	5
MolWt:	219.26	Num_heavy_atoms:	14
TPSA:	78.62	NumAromaticRings:	0