GD006342

Name:

PHYLLAEMBLICIN E

Formula:

C38H54O23

Smiles:

C[C@@H]1CO[C@@]2(C[C@H]1OC(=O)c1ccccc1)O[C@@H]1C[C@H](C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)C[C@H](O)[C@@]1(O)[C@H]2O

Aglycone:

CC1COC2(CC1OC(=O)c1ccccc1)OC1CC(C(=O)O)CC(O)C1(O)C2O

Sugarmoiety:

OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL145786
• CNP0223741

AD05264

Formula: C21H26O9

Smiles:

CC1COC2(CC1OC(=O)c1ccccc1)OC1CC(C(=O)O)CC(O)C1(O)C2O

HBA:	9	RingCount:	4
HBD:	4	FractionCSP3:	0.62
AlogP:	0.31	Num_rotatable_bonds:	3
MolWt:	422.43	Num_heavy_atoms:	30
TPSA:	142.75	NumAromaticRings:	1