GD018686

Name:

None

Formula:

C50H75O74N3S16

Smiles:

O=S(=O)(O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](OS(=O)(=O)O)[C@H](O[C@@H]3[C@H](OS(=O)(=O)O)[C@H](O[C@H]4[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](COS(=O)(=O)O)O[C@H]4OCCCCCCCCn4cc(-c5cccc6ccccc56)nn4)O[C@H](COS(=O)(=O)O)[C@H]3OS(=O)(=O)O)O[C@H](COS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](O[C@@H]2O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H]1OS(=O)(=O)O

Aglycone:

COS(=O)(=O)O.COS(=O)(=O)O.COS(=O)(=O)O.COS(=O)(=O)O.COS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.OCCCCCCCCn1cc(-c2cccc3ccccc23)nn1

Sugarmoiety:

OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4OC(OC5OOC(O)OC5O)OC(O)C4O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1615423

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

AD02141

Formula: C20H25ON3

Smiles:

OCCCCCCCCn1cc(-c2cccc3ccccc23)nn1

HBA:	4	RingCount:	3
HBD:	1	FractionCSP3:	0.4
AlogP:	4.43	Num_rotatable_bonds:	9
MolWt:	323.44	Num_heavy_atoms:	24
TPSA:	50.94	NumAromaticRings:	3