GD150169

Name:

10-(acetyloxy)-2,6-dihydroxy-16-{[5-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-6,13-dimethyl-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosan-11-yl 3-phenylprop-2-enoate

Formula:

C59H88O23

Smiles:

COC1CC(OC2CCC3(C)C(CCC4C3C(OC(=O)C=Cc3ccccc3)C(OC(C)=O)C35COC(C)(O)C3CCC45O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Aglycone:

CC(=O)OC1C(OC(=O)C=Cc2ccccc2)C2C(CCC3CC(O)CCC32C)C2(O)CCC3C(C)(O)OCC132

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Other Identifiers

• CNP0123315

AD60003

Formula: C32H42O8

Smiles:

CC(=O)OC1C(OC(=O)C=Cc2ccccc2)C2C(CCC3CC(O)CCC32C)C2(O)CCC3C(C)(O)OCC132

HBA:	8	RingCount:	6
HBD:	3	FractionCSP3:	0.69
AlogP:	3.62	Num_rotatable_bonds:	4
MolWt:	554.68	Num_heavy_atoms:	40
TPSA:	122.52	NumAromaticRings:	1