GD008936

Name:

FRONDOSIDE A

Formula:

C60H95O29S

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](OC5CC[C@]6(C)[C@@H]7CCC89C(=O)O[C@](C)(CCCC(C)C)C8[C@H](OC(C)=O)C[C@@]9(C)C7=CC[C@H]6C5(C)C)OC[C@H](OS(=O)(=O)[O-])[C@H]4O)[C@@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)OC[C@H]2O)O[C@H](CO)[C@H]1O

Aglycone:

CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(CCCC(C)C)C13.O=S(=O)([O-])O

Sugarmoiety:

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

Other Identifiers

• CHEMBL257558

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

AD03061

Formula: C32H50O5

Smiles:

CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(CCCC(C)C)C13

HBA:	5	RingCount:	5
HBD:	1	FractionCSP3:	0.88
AlogP:	6.62	Num_rotatable_bonds:	5
MolWt:	514.75	Num_heavy_atoms:	37
TPSA:	72.83	NumAromaticRings:	0