GD144569

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-methoxy-7,9,13-trimethyl-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:

C55H92O23

Smiles:

COC1(CCC(C)COOC2OC(CO)C(O)C(O)C2O)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

Aglycone:

COC1(CCC(C)COO)OC2CC3C4CC=C5CC(OOCC6CC(CO)C(O)C(O)C6CO)CCC5(C)C4CCC3(C)C2C1C

Sugarmoiety:

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

Other Identifiers

• CNP0420678

AD58089

Formula: C37H62O10

Smiles:

COC1(CCC(C)COO)OC2CC3C4CC=C5CC(OOCC6CC(CO)C(O)C(O)C6CO)CCC5(C)C4CCC3(C)C2C1C

HBA:	10	RingCount:	6
HBD:	5	FractionCSP3:	0.95
AlogP:	4.73	Num_rotatable_bonds:	12
MolWt:	666.89	Num_heavy_atoms:	47
TPSA:	147.3	NumAromaticRings:	0