GD131056

Name:

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

Formula:

C45H73O17N

Smiles:

CC1CNC2(OC3CC4C5CC=C6CC(OC7C(O)C(CO)OC(OC8C(O)C(O)OC(CO)C8O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1

Aglycone:

CC1CNC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1

Sugarmoiety:

CC1OC(OC2C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0260148

AD48095

Formula: C27H43O3N

Smiles:

CC1CNC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1

HBA:	4	RingCount:	6
HBD:	3	FractionCSP3:	0.93
AlogP:	4.26	Num_rotatable_bonds:	0
MolWt:	429.65	Num_heavy_atoms:	31
TPSA:	61.72	NumAromaticRings:	0