GD120857

Name:

Achlioniceoside A1

Formula:

C60H96O34S2

Smiles:

C=C(C)C(O)CCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(OC4OCC(OC6OC(COS(=O)(=O)O)C(O)C(O)C6O)C(O)C4OC4OC(C)C(OC6OC(COS(=O)(=O)O)C(O)C(OC7OC(CO)C(O)C(OC)C7O)C6O)C(O)C4O)C5(C)C)C2(C)CCC13

Aglycone:

C=C(C)C(O)CCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13.COS(=O)(=O)O.COS(=O)(=O)O

Sugarmoiety:

COC1C(O)C(CO)OC(OC2C(O)C(O)OC(OC3C(C)OC(OC4C(O)OCC(OC5OC(O)C(O)C(O)C5O)C4O)C(O)C3O)C2O)C1O

Other Identifiers

• CNP0424209

AD00053

Formula: CH4O4S

Smiles:

COS(=O)(=O)O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	-0.56	Num_rotatable_bonds:	1
MolWt:	112.11	Num_heavy_atoms:	6
TPSA:	63.6	NumAromaticRings:	0

AD48594

Formula: C30H46O5

Smiles:

C=C(C)C(O)CCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.83
AlogP:	4.94	Num_rotatable_bonds:	4
MolWt:	486.69	Num_heavy_atoms:	35
TPSA:	86.99	NumAromaticRings:	0