GD128631

Name:

2-{[3-(acetyloxy)-6-({3,7-dimethyl-8-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]octa-2,6-dien-1-yl}oxy)-5-hydroxy-2-methyloxan-4-yl]oxy}-5-hydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 8-hydroxy-2,6-dimethylocta-2,6-dienoate

Formula:

C46H74O21

Smiles:

CC(=O)OC1C(C)OC(OCC=C(C)CCC=C(C)COC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(OC2OC(C)C(O)C(O)C2O)C1OC(=O)C(C)=CCCC(C)=CCO

Aglycone:

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

Sugarmoiety:

CC(=O)OC1C(C)OC(O)C(O)C1OC1OC(C)C(O)C(OC2OC(C)C(O)C(O)C2O)C1O.CC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0183539

AD21716

Formula: C10H16O3

Smiles:

CC(=CCO)CCC=C(C)C(=O)O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.5
AlogP:	1.74	Num_rotatable_bonds:	5
MolWt:	184.23	Num_heavy_atoms:	13
TPSA:	57.53	NumAromaticRings:	0

AD51066

Formula: C10H18O2

Smiles:

CC(=CCCC(C)=CCO)CO

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.6
AlogP:	1.64	Num_rotatable_bonds:	5
MolWt:	170.25	Num_heavy_atoms:	12
TPSA:	40.46	NumAromaticRings:	0