GD029995

Name:

None

Formula:

C49H76O17NF3

Smiles:

C[C@@H]1CC[C@]2(OC1)O[C@@H]1CC3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](C)[C@H](OCCNC(=O)C(F)(F)F)[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(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.O=C(NCCO)C(F)(F)F

Sugarmoiety:

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

Other Identifiers

• CHEMBL217855

AD00005

Formula: C27H42O3

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	0.93
AlogP:	5.71	Num_rotatable_bonds:	0
MolWt:	414.63	Num_heavy_atoms:	30
TPSA:	38.69	NumAromaticRings:	0

AD17116

Formula: C4H6O2NF3

Smiles:

O=C(NCCO)C(F)(F)F

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.75
AlogP:	-0.34	Num_rotatable_bonds:	2
MolWt:	157.09	Num_heavy_atoms:	10
TPSA:	49.33	NumAromaticRings:	0