GD139643

Name:

2-{[6-({2-[(12-{[4-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6,10-trimethyldodeca-2,6,10-trien-1-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C51H86O28

Smiles:

CC(=CCCC(C)=CCOC1OC(CO)C(O)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C1O)CCC=C(C)COC1OC(CO)C(O)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C1O

Aglycone:

CC(=CCCC(C)=CCCC(C)=CCO)CO

Sugarmoiety:

CC1OC(OC2C(C)OC(OC3C(O)C(O)OC(CO)C3O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(C)OC(OC3C(O)C(O)OC(CO)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0087293

AD48101

Formula: C15H26O2

Smiles:

CC(=CCCC(C)=CCCC(C)=CCO)CO

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.6
AlogP:	3.37	Num_rotatable_bonds:	8
MolWt:	238.37	Num_heavy_atoms:	17
TPSA:	40.46	NumAromaticRings:	0