GD122014

Name:

None

Formula:

C59H92O33S2

Smiles:

COC1C(O)C(COS(=O)(=O)O)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7CCC89C(=O)OC%10(CC8(C)C7=CCC6C5(C)C)C(C(=O)C(C)C)CC(C)(O)C%109)OCC(OS(=O)(=O)O)C4O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C1O

Aglycone:

CC(C)C(=O)C1CC(C)(O)C2C13CC1(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC21C(=O)O3.COS(=O)(=O)O.O=S(=O)(O)O

Sugarmoiety:

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

Other Identifiers

• CNP0444598

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

AD49143

Formula: C30H44O5

Smiles:

CC(C)C(=O)C1CC(C)(O)C2C13CC1(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC21C(=O)O3

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.87
AlogP:	4.83	Num_rotatable_bonds:	2
MolWt:	484.68	Num_heavy_atoms:	35
TPSA:	83.83	NumAromaticRings:	0