GD156402

Name:

[3,4-bis(acetyloxy)-6-{[3-(acetyloxy)-2-{[3,5-bis(acetyloxy)-6-({[4,5-bis(acetyloxy)-3-hydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-4-hydroxyoxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-hydroxyoxan-2-yl]methyl acetate

Formula:

C46H68O34

Smiles:

CC(=O)OCC1OC(OC2C(O)C(CO)OC(OC3OC(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(OC(C)=O)C(OC(C)=O)C4O)C(OC(C)=O)C(O)C3OC(C)=O)C2OC(C)=O)C(O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O

Sugarmoiety:

CC(=O)OC1C(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC(C)=O)C(OC(C)=O)C2O)OC(OC2OC(CO)C(O)C(OC3OC(O)C(OC(C)=O)C(OC(C)=O)C3O)C2OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

• CNP0339479

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