GD017251

Name:

None

Formula:

C43H75O17N

Smiles:

CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](COC(C)=O)O[C@H]1OC(COCCCCCCCCC(C)CCCCCCCCCO)CO[C@@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(CCCCCCCCCO)CCCCCCCCOCC(O)CO.COC(C)=O

Sugarmoiety:

CC(=O)NC1C(O)OC(COC(C)=O)C(O)C1O.CC(=O)OC1OCOC(O)C1OC(C)=O

Other Identifiers

• CHEMBL1945932

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD02040

Formula: C22H46O4

Smiles:

CC(CCCCCCCCCO)CCCCCCCCOCC(O)CO

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	4.84	Num_rotatable_bonds:	21
MolWt:	374.61	Num_heavy_atoms:	26
TPSA:	69.92	NumAromaticRings:	0