GD004965

Name:

None

Formula:

C41H70O14

Smiles:

CCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC(=O)CCCCCCCCCCC

Aglycone:

CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCC.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL3759680

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

AD02228

Formula: C27H52O5

Smiles:

CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCC

HBA:	5	RingCount:	0
HBD:	1	FractionCSP3:	0.93
AlogP:	7.28	Num_rotatable_bonds:	24
MolWt:	456.71	Num_heavy_atoms:	32
TPSA:	72.83	NumAromaticRings:	0