GD123396

Name:

2-[(2-{[4,5-dihydroxy-6-({18-hydroxy-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl}oxy)-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C50H81O21N

Smiles:

CC1CC(O)C2C(C)C3C(CC4C5CC=C6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC8OC(CO)C(O)C(O)C8O)C(O)C7O)CCC6(C)C5CCC43C)N2C1

Aglycone:

CC1CC(O)C2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC43C)N2C1

Sugarmoiety:

OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0224993

AD49791

Formula: C27H43O2N

Smiles:

CC1CC(O)C2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC43C)N2C1

HBA:	3	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	4.63	Num_rotatable_bonds:	0
MolWt:	413.65	Num_heavy_atoms:	30
TPSA:	43.7	NumAromaticRings:	0