GD128301

Name:

2-[(6-{[5-(acetyloxy)-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy}-2-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}methyl)-4,5-dihydroxyoxan-3-yl)oxy]-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl 4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl hexanedioate

Formula:

C42H70O29

Smiles:

COC1OC(CO)C(OC(=O)CCCCC(=O)OC2C(OC3C(COC4OC(CO)C(OC)C(O)C4O)OC(OC4C(CO)OC(C)C(OC(C)=O)C4O)C(O)C3O)OC(CO)C(OC)C2O)C(O)C1O

Aglycone:

O=C(O)CCCCC(=O)O

Sugarmoiety:

COC1C(CO)OC(OCC2OC(OC3C(CO)OC(C)C(OC(C)=O)C3O)C(O)C(O)C2OC2OC(CO)C(OC)C(O)C2O)C(O)C1O.COC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CNP0003198

AD51973

Formula: C6H10O4

Smiles:

O=C(O)CCCCC(=O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.67
AlogP:	0.72	Num_rotatable_bonds:	5
MolWt:	146.14	Num_heavy_atoms:	10
TPSA:	74.6	NumAromaticRings:	0