GD131685

Name:

2-({5-hydroxy-2-[(11-{[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6,10-trimethylundeca-1,5-dien-1-yl)oxy]-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol

Formula:

C50H86O28

Smiles:

CC(=COC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O)CCC=C(C)CCCC(C)COC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O

Aglycone:

CC(=CO)CCC=C(C)CCCC(C)CO

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0310574

AD53334

Formula: C14H26O2

Smiles:

CC(=CO)CCC=C(C)CCCC(C)CO

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.71
AlogP:	3.97	Num_rotatable_bonds:	8
MolWt:	226.36	Num_heavy_atoms:	16
TPSA:	40.46	NumAromaticRings:	0