GD131119

Name:

(6-{[12-({4-[(5-{[3-(acetyloxy)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-6-[(acetyloxy)methyl]-3,5-dihydroxyoxan-2-yl}oxy)-2,6,10-trimethyldodeca-2,6,10-trien-1-yl]oxy}-4-[(5-{[3,4-bis(acetyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-3,5-dihydroxyoxan-2-yl)methyl acetate

Formula:

C61H96O33

Smiles:

CC(=O)OCC1OC(OCC=C(C)CCC=C(C)CCC=C(C)COC2OC(COC(C)=O)C(O)C(OC3OC(C)C(OC4OC(C)C(O)C(OC(C)=O)C4OC(C)=O)C(O)C3O)C2O)C(O)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3OC(C)=O)C(O)C2O)C1O

Aglycone:

CC(=CCCC(C)=CCCC(C)=CCO)CO.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(OC2C(C)OC(OC3C(O)C(O)OC(O)C3O)C(O)C2O)OC(C)C(O)C1O.CC(=O)OC1C(OC2C(C)OC(OC3C(O)C(O)OC(O)C3O)C(O)C2O)OC(C)C(O)C1OC(C)=O

Other Identifiers

• CNP0087358

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

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