GD116292

Name:

2-{[5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-({2-methyl-1-[5-methyl-2-(prop-1-en-2-yl)cyclohexa-1,5-dien-1-yl]but-3-en-2-yl}oxy)oxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol

Formula:

C39H62O18

Smiles:

C=CC(C)(CC1=C(C(=C)C)CCC(C)=C1)OC1OC(COC2OC(C)C(O)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)CC1=C(C(=C)C)CCC(C)=C1

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

• CNP0002463

AD46147

Formula: C15H22O

Smiles:

C=CC(C)(O)CC1=C(C(=C)C)CCC(C)=C1

HBA:	1	RingCount:	1
HBD:	1	FractionCSP3:	0.47
AlogP:	3.93	Num_rotatable_bonds:	4
MolWt:	218.34	Num_heavy_atoms:	16
TPSA:	20.23	NumAromaticRings:	0