GD131244

Name:

6-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-15-{6-hydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptan-2-yl}-7,7,12,16-tetramethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-14-yl acetate

Formula:

C54H90O23

Smiles:

CC(=O)OC1CC2(C)C3CC(OC4OC(CO)C(O)C(O)C4O)C4C(C)(C)C(OC5OCC(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC45CC35CCC2(C)C1C(C)CCC(OC1OCC(O)C(O)C1O)C(C)(C)O

Aglycone:

CC(=O)OC1CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC2(C)C1C(C)CCC(O)C(C)(C)O

Sugarmoiety:

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0123803

AD50215

Formula: C32H54O6

Smiles:

CC(=O)OC1CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC2(C)C1C(C)CCC(O)C(C)(C)O

HBA:	6	RingCount:	5
HBD:	4	FractionCSP3:	0.97
AlogP:	4.85	Num_rotatable_bonds:	6
MolWt:	534.78	Num_heavy_atoms:	38
TPSA:	107.22	NumAromaticRings:	0