GD018055

Name:

OKHOTOSIDE B3

Formula:

C61H94O34S2

Smiles:

C=C(C)CCC[C@@]1(C)OC(=O)C23CC[C@@H]4C(=CC[C@@H]5C(C)(C)C(O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@H](O[C@@H]8O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@H](OC)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@@]2(C)C[C@H](OC(C)=O)C31

Aglycone:

C=C(C)CCCC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CC(OC(C)=O)C13.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

Sugarmoiety:

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

Other Identifiers

• CHEMBL255897

AD00581

Formula: CH3O4S

Smiles:

COS(=O)(=O)[O-]

HBA:	4	RingCount:	0
HBD:	0	FractionCSP3:	1.0
AlogP:	-0.91	Num_rotatable_bonds:	1
MolWt:	111.1	Num_heavy_atoms:	6
TPSA:	66.43	NumAromaticRings:	0

AD05574

Formula: C32H48O5

Smiles:

C=C(C)CCCC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CC(OC(C)=O)C13

HBA:	5	RingCount:	5
HBD:	1	FractionCSP3:	0.81
AlogP:	6.54	Num_rotatable_bonds:	5
MolWt:	512.73	Num_heavy_atoms:	37
TPSA:	72.83	NumAromaticRings:	0