GD129333

Name:

2-{[4-(acetyloxy)-2-carboxy-6-[(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-5-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Formula:

C37H60O30

Smiles:

COC1C(O)C(CO)OC(OC2C(OC3C(O)C(CO)OC(OC4C(O)C(C)OC(CO)C4O)C3O)OC(C(=O)O)C(OC3(C(=O)O)CC(O)C(O)C(C(O)C(O)CO)O3)C2OC(C)=O)C1O

Aglycone:

OCC(O)CO

Sugarmoiety:

COOC(O)C(OOCO)OC1C(OC2C(O)C(CO)OC(OC3C(O)C(C)OC(CO)C3O)C2O)OC(C(=O)O)C(OC2(C(=O)O)CC(O)C(O)C(C(O)C(O)CO)O2)C1OC(C)=O

Other Identifiers

• CNP0321533

AD00405

Formula: C3H8O3

Smiles:

OCC(O)CO

HBA:	3	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	-1.67	Num_rotatable_bonds:	2
MolWt:	92.09	Num_heavy_atoms:	6
TPSA:	60.69	NumAromaticRings:	0