GD033921

Name:

PHYLLAEMBLICIN C

Formula:

C38H52O23

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)C2=O

Aglycone:

CC1COC2(CC1OC(=O)c1ccccc1)OC1CC(C(=O)O)CC(O)C1(O)C2=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL557190
• CNP0278712

AD01862

Formula: C21H24O9

Smiles:

CC1COC2(CC1OC(=O)c1ccccc1)OC1CC(C(=O)O)CC(O)C1(O)C2=O

HBA:	9	RingCount:	4
HBD:	3	FractionCSP3:	0.57
AlogP:	0.52	Num_rotatable_bonds:	3
MolWt:	420.41	Num_heavy_atoms:	30
TPSA:	139.59	NumAromaticRings:	1