GD123981

Name:

[4,5-bis(acetyloxy)-6-(benzyloxy)-3-{[3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}oxan-2-yl]methyl acetate

Formula:

C45H58O26

Smiles:

CC(=O)OCC1OC(OC2C(OC(C)=O)C(COC(C)=O)OC(OC3C(COC(C)=O)OC(OCc4ccccc4)C(OC(C)=O)C3OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.COC(C)=O.OCc1ccccc1

Sugarmoiety:

CC(=O)OCC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC1OC(O)OC(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0375875

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD00044

Formula: C7H8O

Smiles:

OCc1ccccc1

HBA:	1	RingCount:	1
HBD:	1	FractionCSP3:	0.14
AlogP:	1.18	Num_rotatable_bonds:	1
MolWt:	108.14	Num_heavy_atoms:	8
TPSA:	20.23	NumAromaticRings:	1