GD141140

Name:

None

Formula:

C61H98O37S3

Smiles:

COC1C(O)C(COS(=O)(=O)O)OC(OC2C(O)C(COS(=O)(=O)O)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7CCC89C(=O)OC(CC=C(C)C)C(C)(OC(C)=O)C8(O)CCC9(C)C7CCC6C5(C)C)OCC(OS(=O)(=O)O)C4O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C1O

Aglycone:

CC(=O)OC1(C)C(CC=C(C)C)OC(=O)C23CCC4C(CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13O.COS(=O)(=O)O.COS(=O)(=O)O.O=S(=O)(O)O

Sugarmoiety:

COC1C(O)C(O)OC(OC2C(O)C(O)OC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C1O

Other Identifiers

• CNP0462761

AD00034

Formula: H2O4S

Smiles:

O=S(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.65	Num_rotatable_bonds:	0
MolWt:	98.08	Num_heavy_atoms:	5
TPSA:	74.6	NumAromaticRings:	0

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

AD56884

Formula: C32H50O6

Smiles:

CC(=O)OC1(C)C(CC=C(C)C)OC(=O)C23CCC4C(CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13O

HBA:	6	RingCount:	5
HBD:	2	FractionCSP3:	0.88
AlogP:	5.73	Num_rotatable_bonds:	3
MolWt:	530.75	Num_heavy_atoms:	38
TPSA:	93.06	NumAromaticRings:	0