GD119909

Name:

[3,4,5-tris(acetyloxy)-6-{[5-(acetyloxy)-2-[4-(acetyloxy)cyclohex-3-en-1-yl]-4-oxo-3-{[3,4,5-tris(acetyloxy)-6-{[(1-oxoethylidene)oxo]methyl}oxan-2-yl]oxy}-octahydro-2H-1-benzopyran-7-yl]oxy}oxan-2-yl]methyl acetate

Formula:

C47H62O26

Smiles:

CC(=O)OCC1OC(OC2CC(OC(C)=O)C3C(=O)C(OC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C(C4CC=C(OC(C)=O)CC4)OC3C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)OC1=CCC(C2OC3CC(O)CC(OC(C)=O)C3C(=O)C2O)CC1.COC(C)=O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0332386

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

AD48118

Formula: C19H26O8

Smiles:

CC(=O)OC1=CCC(C2OC3CC(O)CC(OC(C)=O)C3C(=O)C2O)CC1

HBA:	8	RingCount:	3
HBD:	2	FractionCSP3:	0.74
AlogP:	0.63	Num_rotatable_bonds:	3
MolWt:	382.41	Num_heavy_atoms:	27
TPSA:	119.36	NumAromaticRings:	0