GD123311

Name:

6-({2-[(3,7-dimethylocta-1,6-dien-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-4,5-dihydroxy-2-methyloxan-3-yl 6-({3-[(2,6-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octa-2,7-dienoyl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-2,6-dimethylocta-2,7-dienoate

Formula:

C54H86O24

Smiles:

C=CC(C)(CCC=C(C)C(=O)OC1C(OC(C)(C=C)CCC=C(C)C(=O)OC2C(C)OC(OC3C(OC(C)(C=C)CCC=C(C)C)OC(CO)C(O)C3O)C(O)C2O)OC(CO)C(O)C1O)OC1OC(CO)C(O)C(O)C1O

Aglycone:

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

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0421189

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

AD10262

Formula: C10H18O

Smiles:

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

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	0.6
AlogP:	2.67	Num_rotatable_bonds:	4
MolWt:	154.25	Num_heavy_atoms:	11
TPSA:	20.23	NumAromaticRings:	0