GD017220

Name:

FUSCOCINEROSIDE B

Formula:

C54H85O26S

Smiles:

CO[C@@H]1[C@H](O)[C@H](O[C@@H]2[C@H](O)[C@H](O[C@@H]3[C@H](C)O[C@H](O[C@@H]4[C@H](O[C@@H]5CC[C@]6(C)C7=C[C@H](O)[C@]89C(=O)O[C@@](C)(C(=O)CCC(C)C)[C@H]8CC[C@@]9(C)[C@H]7CC[C@H]6C5(C)C)OC[C@H](OS(=O)(=O)[O-])[C@H]4O)[C@H](O)[C@H]3O)O[C@H](CO)[C@H]2O)O[C@H](CO)[C@H]1O

Aglycone:

CC(C)CCC(=O)C1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13.O=S(=O)([O-])O

Sugarmoiety:

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

Other Identifiers

• CHEMBL502214

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

AD12315

Formula: C30H46O5

Smiles:

CC(C)CCC(=O)C1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13

HBA:	5	RingCount:	5
HBD:	2	FractionCSP3:	0.87
AlogP:	5.22	Num_rotatable_bonds:	4
MolWt:	486.69	Num_heavy_atoms:	35
TPSA:	83.83	NumAromaticRings:	0