GD010422

Name:

None

Formula:

C33H48O22N2S

Smiles:

CC(=O)OCC1OC(OCC2OC(N3C(=S)N[C@H]([C@H](O)[C@H](O)[C@H](O)CO)[C@H]3O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O.OC1CNC(=S)N1

Sugarmoiety:

CC(=O)OC1C(O)OC(COC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O.OCC(O)C(O)C(O)O

Other Identifiers

• CHEMBL1995500

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

AD02868

Formula: C3H6ON2S

Smiles:

OC1CNC(=S)N1

HBA:	3	RingCount:	1
HBD:	3	FractionCSP3:	0.67
AlogP:	-1.22	Num_rotatable_bonds:	0
MolWt:	118.16	Num_heavy_atoms:	7
TPSA:	44.29	NumAromaticRings:	0