GD129739

Name:

3-[4-({5-[(4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-(4,8-dimethylnona-1,3,7-trien-1-yl)-2,6-dimethylcyclohex-1-en-1-yl]-3-hydroxypropanoic acid

Formula:

C50H80O27

Smiles:

CC(C)=CCCC(C)=CC=CC1(C)CC(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O)C4O)C3O)C(O)C2OC2OCC(O)C(O)C2O)CC(C)=C1C(O)CC(=O)O

Aglycone:

CC(C)=CCCC(C)=CC=CC1(C)CC(O)CC(C)=C1C(O)CC(=O)O

Sugarmoiety:

OCC1OC(OC2C(O)C(OC3C(CO)OC(O)C(OC4OCC(O)C(O)C4O)C3O)OC(CO)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0284304

AD51606

Formula: C22H34O4

Smiles:

CC(C)=CCCC(C)=CC=CC1(C)CC(O)CC(C)=C1C(O)CC(=O)O

HBA:	4	RingCount:	1
HBD:	3	FractionCSP3:	0.59
AlogP:	4.55	Num_rotatable_bonds:	8
MolWt:	362.51	Num_heavy_atoms:	26
TPSA:	77.76	NumAromaticRings:	0