GD118496

Name:

3-methyl-4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}but-2-en-1-yl 3-[3,4-bis(acetyloxy)phenyl]prop-2-enoate

Formula:

C32H38O16

Smiles:

CC(=O)OCC1OC(OCC(C)=CCOC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)Oc1ccc(C=CC(=O)OCC=C(C)CO)cc1OC(C)=O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0409442

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

AD47389

Formula: C18H20O7

Smiles:

CC(=O)Oc1ccc(C=CC(=O)OCC=C(C)CO)cc1OC(C)=O

HBA:	7	RingCount:	1
HBD:	1	FractionCSP3:	0.28
AlogP:	2.03	Num_rotatable_bonds:	7
MolWt:	348.35	Num_heavy_atoms:	25
TPSA:	99.13	NumAromaticRings:	1