GD123807

Name:

[3,4,5-tris(acetyloxy)-6-({1,5-bis[3,4-bis(acetyloxy)phenyl]-1-methoxy-5-oxopentan-2-yl}oxy)oxan-2-yl]methyl acetate

Formula:

C40H46O20

Smiles:

COC(c1ccc(OC(C)=O)c(OC(C)=O)c1)C(CCC(=O)c1ccc(OC(C)=O)c(OC(C)=O)c1)OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O.COC(c1ccc(OC(C)=O)c(OC(C)=O)c1)C(O)CCC(=O)c1ccc(OC(C)=O)c(OC(C)=O)c1

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0152784

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

AD49985

Formula: C26H28O11

Smiles:

COC(c1ccc(OC(C)=O)c(OC(C)=O)c1)C(O)CCC(=O)c1ccc(OC(C)=O)c(OC(C)=O)c1

HBA:	11	RingCount:	2
HBD:	1	FractionCSP3:	0.35
AlogP:	3.1	Num_rotatable_bonds:	11
MolWt:	516.5	Num_heavy_atoms:	37
TPSA:	151.73	NumAromaticRings:	2