GD146486

Name:

Saprosmoside C

Formula:

C34H42O21S

Smiles:

CSC(=O)OCC1=CC2OC(=O)C3=COC(OC4OC(CO)C(O)C(OC(=O)C5=COC(OC6OC(CO)C(O)C(O)C6O)C6C(CO)=CC(O)C56)C4O)C1C32

Aglycone:

CSC(=O)OCC1=CC2OC(=O)C3=COC(O)C1C32.O=C(O)C1=COC(O)C2C(CO)=CC(O)C12

Sugarmoiety:

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

Other Identifiers

• CNP0365465

AD06108

Formula: C10H12O6

Smiles:

O=C(O)C1=COC(O)C2C(CO)=CC(O)C12

HBA:	6	RingCount:	2
HBD:	4	FractionCSP3:	0.5
AlogP:	-1.17	Num_rotatable_bonds:	2
MolWt:	228.2	Num_heavy_atoms:	16
TPSA:	107.22	NumAromaticRings:	0

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