GD149369

Name:

Saprosmoside A

Formula:

C34H44O22S

Smiles:

CSC(=O)OCC1=CC(O)C2C(C(=O)OCC3OC(OC4OC=C(C(=O)O)C5C(O)C=C(CO)C45)C(O)C(O)C3O)=COC(OC3OC(CO)C(O)C(O)C3O)C12

Aglycone:

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

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0126684

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

AD40430

Formula: C13H16O7S

Smiles:

COC(=O)C1=COC(O)C2C(COC(=O)SC)=CC(O)C12

HBA:	7	RingCount:	2
HBD:	2	FractionCSP3:	0.54
AlogP:	0.42	Num_rotatable_bonds:	3
MolWt:	316.33	Num_heavy_atoms:	21
TPSA:	102.29	NumAromaticRings:	0