GD116163

Name:

2-({6-[(6-{[6-({2-[({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,5-dihydroxy-6-[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)oxy]oxan-4-yl}oxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)-6-methyloxane-3,4,5-triol

Formula:

C54H90O30

Smiles:

CC(C)=CCCC(C)=CCCC(C)=CCOC1OC(COC2OCC(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(OC2OC(C)C(OC3OC(C)C(OC4OCC(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C1O

Aglycone:

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

Sugarmoiety:

CC1OC(OC2COC(OC3C(C)OC(OC4C(C)OC(OC5C(O)C(O)OC(COC6OCC(OC7OCC(O)C(O)C7O)C(O)C6O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0303995

AD45904

Formula: C15H26O

Smiles:

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

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	0.6
AlogP:	4.4	Num_rotatable_bonds:	7
MolWt:	222.37	Num_heavy_atoms:	16
TPSA:	20.23	NumAromaticRings:	0