GD003377

Name:

Intercedenside E

Formula:

C54H82O26S

Smiles:

CO[C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3CO[C@H](O[C@@H]4[C@H](O[C@@H]5CC[C@]6(C)[C@@H]7CC[C@]89C(=O)O[C@@](C)(C=CC=C(C)C)[C@@]8(O)[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]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)(C=CC=C(C)C)C13O.O=S(=O)(O)O

Sugarmoiety:

COC1C(O)C(CO)OC(OC2C(O)COC(OC3COC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1O

Other Identifiers

• CHEMBL1207875
• CNP0424339

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

AD01932

Formula: C32H46O6

Smiles:

CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(C=CC=C(C)C)C13O

HBA:	6	RingCount:	5
HBD:	2	FractionCSP3:	0.75
AlogP:	5.43	Num_rotatable_bonds:	3
MolWt:	526.71	Num_heavy_atoms:	38
TPSA:	93.06	NumAromaticRings:	0