GD020501

Name:

VERBESINOSIDE A

Formula:

C56H82O21

Smiles:

COc1cc(C(=O)O[C@@H]2C[C@]3(C(=O)O)C[C@@H]4C[C@]45C(=CCC4[C@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)C(C)(C)[C@H]6CC[C@]45C)[C@H]3CC2(C)C)cc(OC)c1OC

Aglycone:

COc1cc(C(=O)OC2CC3(C(=O)O)CC4CC45C(=CCC4C6(C)CCC(O)C(C)(C)C6CCC45C)C3CC2(C)C)cc(OC)c1OC

Sugarmoiety:

OCC1OC(O)C(OC2OCC(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL563122
• CNP0163027

AD14150

Formula: C40H56O8

Smiles:

COc1cc(C(=O)OC2CC3(C(=O)O)CC4CC45C(=CCC4C6(C)CCC(O)C(C)(C)C6CCC45C)C3CC2(C)C)cc(OC)c1OC

HBA:	8	RingCount:	7
HBD:	2	FractionCSP3:	0.75
AlogP:	7.7	Num_rotatable_bonds:	6
MolWt:	664.88	Num_heavy_atoms:	48
TPSA:	111.52	NumAromaticRings:	1