GD035377

Name:

1,4-bis[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl] 2-(2-methylpropyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanedioate

Formula:

C40H56O22

Smiles:

CC(C)C[C@@](CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1

Aglycone:

CC(C)CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4861038
• CNP0277999

AD07301

Formula: C22H26O7

Smiles:

CC(C)CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1

HBA:	7	RingCount:	2
HBD:	3	FractionCSP3:	0.36
AlogP:	3.05	Num_rotatable_bonds:	9
MolWt:	402.44	Num_heavy_atoms:	29
TPSA:	113.29	NumAromaticRings:	2