GD136419

Name:

None

Formula:

C53H84O26S2

Smiles:

C=C(C)CCCC(C)(O)C1C2CC3(C)C4=CCC5C(C)(C)C(OC6OCC(S(=O)(=O)O)C(O)C6OC6OC(C)C(OC7OCC(O)C(OC8OC(COS(=O)(=O)O)C(O)C(OC)C8O)C7O)C(O)C6O)CCC5(C)C4CCC13C(=O)O2

Aglycone:

C=C(C)CCCC(C)(O)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2.COS(=O)(=O)O

Sugarmoiety:

COC1C(O)C(O)OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)OCC(S(=O)(=O)O)C4O)C(O)C3O)C2O)C1O

Other Identifiers

• CNP0458377

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

AD47268

Formula: C30H46O4

Smiles:

C=C(C)CCCC(C)(O)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.83
AlogP:	5.97	Num_rotatable_bonds:	5
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0