GD149771

Name:

Saprosmoside B

Formula:

C34H44O22S

Smiles:

CSC(=O)OCC1=CC(O)C2C(C(=O)OC3C(OC4OC=C(C(=O)O)C5C(O)C=C(CO)C45)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.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

• CNP0243612

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

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