GD138213

Name:

2-{[6-(3-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-2-methylpropoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C41H72O33

Smiles:

CC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Aglycone:

CC(CO)(CO)CO

Sugarmoiety:

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0335290

AD55810

Formula: C5H12O3

Smiles:

CC(CO)(CO)CO

HBA:	3	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	-1.03	Num_rotatable_bonds:	3
MolWt:	120.15	Num_heavy_atoms:	8
TPSA:	60.69	NumAromaticRings:	0