GD016290

Name:

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

Formula:

C45H73O16N

Smiles:

C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@H]4CC=C5C[C@H](O[C@@H]6O[C@@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C

Aglycone:

CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

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

Other Identifiers

• CHEMBL2228353
• CNP0190203

AD07171

Formula: C27H43O2N

Smiles:

CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	3	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	5.29	Num_rotatable_bonds:	0
MolWt:	413.65	Num_heavy_atoms:	30
TPSA:	41.49	NumAromaticRings:	0