GD018325

Name:

CLETHROIDOSIDE C

Formula:

C53H86O21

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CO[C@H](O[C@@H]4CC[C@]5(C)[C@H](CC[C@]6(C)[C@H]5CC[C@]57OC[C@@]8(CCC(C)(C)C[C@H]85)C(=O)C[C@]76C)C4(C)C)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2=O)C3C1

Sugarmoiety:

CC1OC(OC2C(OC3COC(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1927848
• CNP0153829

AD12947

Formula: C30H48O3

Smiles:

CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2=O)C3C1

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	0.97
AlogP:	6.56	Num_rotatable_bonds:	0
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	46.53	NumAromaticRings:	0