GD021662

Name:

None

Formula:

C63H107O16N

Smiles:

CCCCCCCCCCCCCCCCCC(=O)NC[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4C5C[C@@H]6O[C@]7(CC[C@H](C)CO7)[C@H](C)[C@H]6[C@@]5(C)CC[C@H]43)C2)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CHEMBL218106

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

AD00988

Formula: C19H39ON

Smiles:

CCCCCCCCCCCCCCCCCC(=O)NC

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.95
AlogP:	5.99	Num_rotatable_bonds:	16
MolWt:	297.53	Num_heavy_atoms:	21
TPSA:	29.1	NumAromaticRings:	0