GD003807

Name:

Phytolaccoside E

Formula:

C42H66O16

Smiles:

COC(=O)[C@@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1

Aglycone:

COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:

OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL237885
• CNP0224871

AD03249

Formula: C31H48O7

Smiles:

COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1

HBA:	7	RingCount:	5
HBD:	4	FractionCSP3:	0.87
AlogP:	4.33	Num_rotatable_bonds:	3
MolWt:	532.72	Num_heavy_atoms:	38
TPSA:	124.29	NumAromaticRings:	0