GD139144

Name:

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

Formula:

C57H93O25N

Smiles:

CC1CCC2C(C)C3C(CC4C5CC=C6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OC(COC%10OC(CO)C(O)C(O)C%10O)C(O)C(O)C9O)C8O)C(O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5CCC43C)N2C1

Aglycone:

CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC43C)N2C1

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0262535

AD08056

Formula: C27H43ON

Smiles:

CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC43C)N2C1

HBA:	2	RingCount:	6
HBD:	1	FractionCSP3:	0.93
AlogP:	5.66	Num_rotatable_bonds:	0
MolWt:	397.65	Num_heavy_atoms:	29
TPSA:	23.47	NumAromaticRings:	0