GD136288

Name:

4-[2-({8-[2-(5-carboxy-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl)ethoxy]-2,6-dimethyl-8-oxoocta-2,6-dienoyl}oxy)ethyl]-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid

Formula:

C42H58O22

Smiles:

C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CCOC(=O)C=C(C)CCC=C(C)C(=O)OCCC1C(C(=O)O)=COC(OC2OC(CO)C(O)C(O)C2O)C1C=C

Aglycone:

C=CC1C(O)OC=C(C(=O)O)C1CCOC(=O)C=C(C)CCC=C(C)C(=O)OCCC1C(C(=O)O)=COC(O)C1C=C

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0313371

AD55086

Formula: C30H38O12

Smiles:

C=CC1C(O)OC=C(C(=O)O)C1CCOC(=O)C=C(C)CCC=C(C)C(=O)OCCC1C(C(=O)O)=COC(O)C1C=C

HBA:	12	RingCount:	2
HBD:	4	FractionCSP3:	0.47
AlogP:	3.0	Num_rotatable_bonds:	15
MolWt:	590.62	Num_heavy_atoms:	42
TPSA:	186.12	NumAromaticRings:	0