GD022363

Name:

KURILENSOSIDE A

Formula:

C43H73O21S

Smiles:

CO[C@@H]1[C@H](O[C@@H]2CC[C@]3(C)C([C@H](O)C[C@]4(O)[C@@H]5[C@H](O)C[C@H]([C@H](C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](OS(=O)(=O)[O-])[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H]6O)C(C)C)[C@@]5(C)CC[C@H]34)[C@H]2O)OC[C@H](O)[C@H]1O

Aglycone:

CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O.O=S(=O)([O-])O

Sugarmoiety:

COC1C(O)OCC(O)C1O.OCC1OC(OC2C(O)OC(CO)C2O)C(O)C1O

Other Identifiers

• CHEMBL504849

AD00426

Formula: HO4S

Smiles:

O=S(=O)([O-])O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	0.0
AlogP:	-1.0	Num_rotatable_bonds:	0
MolWt:	97.07	Num_heavy_atoms:	5
TPSA:	77.43	NumAromaticRings:	0

AD04482

Formula: C27H48O6

Smiles:

CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O

HBA:	6	RingCount:	4
HBD:	6	FractionCSP3:	1.0
AlogP:	2.47	Num_rotatable_bonds:	5
MolWt:	468.68	Num_heavy_atoms:	33
TPSA:	121.38	NumAromaticRings:	0