GD129836

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-1,5,9-trien-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:

C50H84O28

Smiles:

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

Aglycone:

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

• CNP0160696

AD52598

Formula: C14H24O2

Smiles:

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

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.57
AlogP:	3.89	Num_rotatable_bonds:	7
MolWt:	224.34	Num_heavy_atoms:	16
TPSA:	40.46	NumAromaticRings:	0