GD126461

Name:

6-{[5-({6-[(6-{[(2,6-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octa-2,7-dienoyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-2,6-dimethylocta-2,7-dienoyl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6-dimethylocta-2,7-dienoic acid

Formula:

C48H74O22

Smiles:

C=CC(C)(CCC=C(C)C(=O)OCC1OC(OC(C)(C=C)CCC=C(C)C(=O)OC2C(CO)OC(OC(C)(C=C)CCC=C(C)C(=O)O)C(O)C2O)C(O)C(O)C1O)OC1OC(CO)C(O)C(O)C1O

Aglycone:

C=CC(C)(O)CCC=C(C)C(=O)O.C=CC(C)(O)CCC=C(C)C(=O)O.C=CC(C)(O)CCC=C(C)C(=O)OC

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)O1

Other Identifiers

• CNP0348782

AD01642

Formula: C10H16O3

Smiles:

C=CC(C)(O)CCC=C(C)C(=O)O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.5
AlogP:	1.73	Num_rotatable_bonds:	5
MolWt:	184.23	Num_heavy_atoms:	13
TPSA:	57.53	NumAromaticRings:	0

AD16362

Formula: C11H18O3

Smiles:

C=CC(C)(O)CCC=C(C)C(=O)OC

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	0.55
AlogP:	1.82	Num_rotatable_bonds:	5
MolWt:	198.26	Num_heavy_atoms:	14
TPSA:	46.53	NumAromaticRings:	0