GD014946

Name:

Fuscocineroside A

Formula:

C56H88O28S

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)OC(C)=O)[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(=O)OC(C)(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

• CHEMBL1208204
• CNP0426432

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

AD10936

Formula: C32H48O7

Smiles:

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

HBA:	7	RingCount:	5
HBD:	2	FractionCSP3:	0.84
AlogP:	4.91	Num_rotatable_bonds:	5
MolWt:	544.73	Num_heavy_atoms:	39
TPSA:	110.13	NumAromaticRings:	0