GD114670

Name:

2-({4-[16-({[3-hydroxy-5-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}cyclohexyl]methyl}peroxy)-6,7,9,13-tetramethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl]-2-methylbutyl}peroxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C55H92O22

Smiles:

CC(CCC1(C)OC2CC3C4CC=C5CC(OOCC6CC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6COC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COOC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(CCC1(C)OC2CC3C4CC=C5CC(OOCC6CC(CO)C(O)C(O)C6CO)CCC5(C)C4CCC3(C)C2C1C)COO

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0294384

AD45200

Formula: C37H62O9

Smiles:

CC(CCC1(C)OC2CC3C4CC=C5CC(OOCC6CC(CO)C(O)C(O)C6CO)CCC5(C)C4CCC3(C)C2C1C)COO

HBA:	9	RingCount:	6
HBD:	5	FractionCSP3:	0.95
AlogP:	5.15	Num_rotatable_bonds:	11
MolWt:	650.89	Num_heavy_atoms:	46
TPSA:	138.07	NumAromaticRings:	0