GD156203

Name:

Saprosmoside E

Formula:

C36H44O22S2

Smiles:

CSC(=O)OCC1=CC(O)C2C(C(=O)OC3C(OC4OC=C5C(=O)OC6C=C(COC(=O)SC)C4C56)OC(CO)C(O)C3O)=COC(OC3OC(CO)C(O)C(O)C3O)C12

Aglycone:

CSC(=O)OCC1=CC(O)C2C(C(=O)O)=COC(O)C12.CSC(=O)OCC1=CC2OC(=O)C3=COC(O)C1C32

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0198658

AD12703

Formula: C12H12O6S

Smiles:

CSC(=O)OCC1=CC2OC(=O)C3=COC(O)C1C32

HBA:	6	RingCount:	3
HBD:	1	FractionCSP3:	0.5
AlogP:	0.82	Num_rotatable_bonds:	2
MolWt:	284.29	Num_heavy_atoms:	19
TPSA:	82.06	NumAromaticRings:	0

AD13525

Formula: C12H14O7S

Smiles:

CSC(=O)OCC1=CC(O)C2C(C(=O)O)=COC(O)C12

HBA:	7	RingCount:	2
HBD:	3	FractionCSP3:	0.5
AlogP:	0.34	Num_rotatable_bonds:	3
MolWt:	302.3	Num_heavy_atoms:	20
TPSA:	113.29	NumAromaticRings:	0