GD143396

Name:

16-{[6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-en-5'-yl acetate

Formula:

C52H83O21N

Smiles:

CC(=O)OC1(C)CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(OC7OCC(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C

Aglycone:

CC(=O)OC1(C)CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0360283

AD57677

Formula: C29H45O4N

Smiles:

CC(=O)OC1(C)CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.9
AlogP:	4.97	Num_rotatable_bonds:	1
MolWt:	471.68	Num_heavy_atoms:	34
TPSA:	67.79	NumAromaticRings:	0