GD027118

Name:

SESSILOSIDE

Formula:

C48H76O18

Smiles:

C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4[C@H](C(=C)C)CC[C@@]4(C(=O)O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)CC[C@]32C)[C@@]1(C)CCC(=O)O

Aglycone:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C(C)(CCC(=O)O)C(C(=C)C)CCC43C)C12

Sugarmoiety:

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL447549
• CNP0178950

AD14187

Formula: C30H46O4

Smiles:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C(C)(CCC(=O)O)C(C(=C)C)CCC43C)C12

HBA:	4	RingCount:	4
HBD:	2	FractionCSP3:	0.8
AlogP:	7.35	Num_rotatable_bonds:	6
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	74.6	NumAromaticRings:	0