GD134884

Name:

6-{[5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-[(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)oxy]oxan-2-yl]methoxy}-4,5-dihydroxy-2-methyloxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Formula:

C49H74O21

Smiles:

C=CC(C)(CCC=C(C)CCC=C(C)C)OC1OC(COC2OC(C)C(OC(=O)C=Cc3ccc(O)c(OC)c3)C(O)C2O)C(O)C(O)C1OC1OC(C)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O

Aglycone:

C=CC(C)(O)CCC=C(C)CCC=C(C)C.COc1cc(C=CC(=O)O)ccc1O

Sugarmoiety:

CC1OC(OCC2OC(O)C(OC3OC(C)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0171462

AD00175

Formula: C10H10O4

Smiles:

COc1cc(C=CC(=O)O)ccc1O

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.1
AlogP:	1.5	Num_rotatable_bonds:	3
MolWt:	194.19	Num_heavy_atoms:	14
TPSA:	66.76	NumAromaticRings:	1

AD45694

Formula: C15H26O

Smiles:

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

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